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[(9Z,12Z)-octadeca-9,12-dienyl] 4-methylbenzenesulfonate

[(9Z,12Z)-octadeca-9,12-dienyl] 4-methylbenzenesulfonate

Systemtic Name:[(9Z,12Z)-octadeca-9,12-dienyl] 4-methylbenzenesulfonate
Openeye Name:[(9Z,12Z)-octadeca-9,12-dienyl] 4-methylbenzenesulfonate
CAS Name:4-methylbenzenesulfonic acid [(9Z,12Z)-octadeca-9,12-dienyl] ester
IUPAC Name:[(9Z,12Z)-octadeca-9,12-dienyl] 4-methylbenzenesulfonate
Traditional Name:4-methylbenzenesulfonic acid [(9Z,12Z)-octadeca-9,12-dienyl] ester
Formula: C25H40O3S
MolecularWeight: 420.6483
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C


Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C


InChI

InChI=1S/C25H40O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-29(26,27)25-21-19-24(2)20-22-25/h7-8,10-11,19-22H,3-6,9,12-18,23H2,1-2H3/b8-7-,11-10-


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