[(E)-octadec-10-enyl] 4-(4-hydroxyphenyl)sulfanylbenzoate

Systemtic Name: [(E)-octadec-10-enyl] 4-(4-hydroxyphenyl)sulfanylbenzoate Openeye Name: [(E)-octadec-10-enyl] 4-(4-hydroxyphenyl)sulfanylbenzoate CAS Name: 4-[(4-hydroxyphenyl)thio]benzoic acid [(E)-octadec-10-enyl] ester IUPAC Name: [(E)-octadec-10-enyl] 4-(4-hydroxyphenyl)sulfanylbenzoate Traditional Name: 4-[(4-hydroxyphenyl)thio]benzoic acid [(E)-octadec-10-enyl] ester Formula: C31H44O3S MolecularWeight: 496.74426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCCCCCCCCOC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCC/C=C/CCCCCCCCCOC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)O

InChI

InChI=1S/C31H44O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-34-31(33)27-18-22-29(23-19-27)35-30-24-20-28(32)21-25-30/h8-9,18-25,32H,2-7,10-17,26H2,1H3/b9-8+