6-phenylhexyl 4-oxidanyl-3-[2-oxidanyl-5-(6-phenylhexoxycarbonyl)phenyl]sulfanyl-benzoate

Systemtic Name: 6-phenylhexyl 4-oxidanyl-3-[2-oxidanyl-5-(6-phenylhexoxycarbonyl)phenyl]sulfanyl-benzoate Openeye Name: 6-phenylhexyl 4-hydroxy-3-[2-hydroxy-5-(6-phenylhexoxycarbonyl)phenyl]sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-hydroxy-5-[oxo(6-phenylhexoxy)methyl]phenyl]thio]benzoic acid 6-phenylhexyl ester IUPAC Name: 6-phenylhexyl 4-hydroxy-3-[2-hydroxy-5-(6-phenylhexoxycarbonyl)phenyl]sulfanylbenzoate Traditional Name: 4-hydroxy-3-[[2-hydroxy-5-(6-phenylhexoxycarbonyl)phenyl]thio]benzoic acid 6-phenylhexyl ester Formula: C38H42O6S MolecularWeight: 626.80148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCOC(=O)C2=CC(=C(C=C2)O)SC3=C(C=CC(=C3)C(=O)OCCCCCCC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCOC(=O)C2=CC(=C(C=C2)O)SC3=C(C=CC(=C3)C(=O)OCCCCCCC4=CC=CC=C4)O

InChI

InChI=1S/C38H42O6S/c39-33-23-21-31(37(41)43-25-13-3-1-7-15-29-17-9-5-10-18-29)27-35(33)45-36-28-32(22-24-34(36)40)38(42)44-26-14-4-2-8-16-30-19-11-6-12-20-30/h5-6,9-12,17-24,27-28,39-40H,1-4,7-8,13-16,25-26H2