nonadecyl 4-[3-(2-methylpropyl)-4-oxidanyl-phenyl]sulfanylbenzenesulfonate

Systemtic Name: nonadecyl 4-[3-(2-methylpropyl)-4-oxidanyl-phenyl]sulfanylbenzenesulfonate Openeye Name: nonadecyl 4-(4-hydroxy-3-isobutyl-phenyl)sulfanylbenzenesulfonate CAS Name: 4-[[4-hydroxy-3-(2-methylpropyl)phenyl]thio]benzenesulfonic acid nonadecyl ester IUPAC Name: nonadecyl 4-[4-hydroxy-3-(2-methylpropyl)phenyl]sulfanylbenzenesulfonate Traditional Name: 4-[(4-hydroxy-3-isobutyl-phenyl)thio]benzenesulfonic acid nonadecyl ester Formula: C35H56O4S2 MolecularWeight: 604.94674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)SC2=CC(=C(C=C2)O)CC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)SC2=CC(=C(C=C2)O)CC(C)C

InChI

InChI=1S/C35H56O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-39-41(37,38)34-24-21-32(22-25-34)40-33-23-26-35(36)31(29-33)28-30(2)3/h21-26,29-30,36H,4-20,27-28H2,1-3H3