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Nombre : 2-Methylpropan-2-ol t="Download cml file" />
In MOL format (MOL 化學檔案格式)
Other formats
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ALC -- Alchemy format
BGF -- MSI BGF format
BOX -- Dock 3.5 Box format
BS -- Ball and Stick format
C3D1 -- Chem3D Cartesian 1 format
C3D2 -- Chem3D Cartesian 2 format
CACCRT -- Cacao Cartesian format
CACHE -- CAChe MolStruct format [Write-only]
CACINT -- Cacao Internal format [Write-only]
CHT -- Chemtool format [Write-only]
CML -- Chemical Markup Language
CMLR -- CML Reaction format
COM -- Gaussian 98/03 Cartesian Input [Write-only]
COPY -- Copies raw text [Write-only]
CRK2D -- Chemical Resource Kit diagram format (2D)
CRK3D -- Chemical Resource Kit 3D format
CSR -- Accelrys/MSI Quanta CSR format [Write-only]
CSSR -- CSD CSSR format [Write-only]
CT -- ChemDraw Connection Table format
DMOL -- DMol3 coordinates format
ENT -- Protein Data Bank format
FEAT -- Feature format
FH -- Fenske-Hall Z-Matrix format [Write-only]
FIX -- SMILES FIX format [Write-only]
FPT -- Fingerprint format [Write-only]
FRACT -- Free Form Fractional format
FS -- FastSearching
GAMIN -- GAMESS Input [Write-only]
GAU -- Gaussian 98/03 Cartesian Input [Write-only]
GPR -- Ghemical format
GR96 -- GROMOS96 format [Write-only]
HIN -- HyperChem HIN format
INP -- GAMESS Input [Write-only]
JIN -- Jaguar input format [Write-only]
MDL -- MDL MOL format
MMD -- MacroModel format
MMOD -- MacroModel format
MOL -- MDL MOL format
MOL2 -- Sybyl Mol2 format
MOPCRT -- MOPAC Cartesian format
MPD -- Sybyl descriptor format [Write-only]
MPQCIN -- MPQC simplified input format [Write-only]
NW -- NWChem input format [Write-only]
PCM -- PCModel Format
PDB -- Protein Data Bank format
POV -- POV-Ray input format [Write-only]
PQS -- Parallel Quantum Solutions format
QCIN -- Q-Chem input format [Write-only]
REPORT -- Open Babel report format [Write-only]
RXN -- MDL RXN format
SD -- MDL MOL format
SDF -- MDL MOL format
SMI -- SMILES format
TMOL -- TurboMole Coordinate format
TXYZ -- Tinker MM2 format [Write-only]
UNIXYZ -- UniChem XYZ format
VMOL -- ViewMol format
XED -- XED format [Write-only]
XYZ -- XYZ cartesian coordinates format
YOB -- YASARA.org YOB format
ZIN -- ZINDO input format [Write-only]
InChI (InChI 文字化學式)
InChI=1/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
SMILES (SMILES 文字化學式)
CCC[C@@H](O)C
