tridecyl 4-oxidanyl-3-(2-oxidanyl-5-tridecoxycarbonyl-phenyl)sulfanyl-benzoate

Systemtic Name: tridecyl 4-oxidanyl-3-(2-oxidanyl-5-tridecoxycarbonyl-phenyl)sulfanyl-benzoate Openeye Name: tridecyl 4-hydroxy-3-(2-hydroxy-5-tridecoxycarbonyl-phenyl)sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-hydroxy-5-[oxo(tridecoxy)methyl]phenyl]thio]benzoic acid tridecyl ester IUPAC Name: tridecyl 4-hydroxy-3-(2-hydroxy-5-tridecoxycarbonylphenyl)sulfanylbenzoate Traditional Name: 4-hydroxy-3-[(2-hydroxy-5-tridecoxycarbonyl-phenyl)thio]benzoic acid tridecyl ester Formula: C40H62O6S MolecularWeight: 670.98168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCC)O

InChI

InChI=1S/C40H62O6S/c1-3-5-7-9-11-13-15-17-19-21-23-29-45-39(43)33-25-27-35(41)37(31-33)47-38-32-34(26-28-36(38)42)40(44)46-30-24-22-20-18-16-14-12-10-8-6-4-2/h25-28,31-32,41-42H,3-24,29-30H2,1-2H3