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2-[(E)-octadec-9-enoyl]benzenesulfonic acid

2-[(E)-octadec-9-enoyl]benzenesulfonic acid

Systemtic Name:2-[(E)-octadec-9-enoyl]benzenesulfonic acid
Openeye Name:2-[(E)-octadec-9-enoyl]benzenesulfonic acid
CAS Name:2-[(E)-1-oxooctadec-9-enyl]benzenesulfonic acid
IUPAC Name:2-[(E)-octadec-9-enoyl]benzenesulfonic acid
Traditional Name:2-[(E)-octadec-9-enoyl]besylic acid
Formula: C24H38O4S
MolecularWeight: 422.62112
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C1=CC=CC=C1S(=O)(=O)O


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C1=CC=CC=C1S(=O)(=O)O


InChI

InChI=1S/C24H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(25)22-19-17-18-21-24(22)29(26,27)28/h9-10,17-19,21H,2-8,11-16,20H2,1H3,(H,26,27,28)/b10-9+


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