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

Systemtic Name: tridecyl 4-oxidanyl-3-(2-oxidanyl-5-tridecoxycarbonyl-phenyl)sulfonyl-benzoate Openeye Name: tridecyl 4-hydroxy-3-(2-hydroxy-5-tridecoxycarbonyl-phenyl)sulfonyl-benzoate CAS Name: 4-hydroxy-3-[2-hydroxy-5-[oxo(tridecoxy)methyl]phenyl]sulfonylbenzoic acid tridecyl ester IUPAC Name: tridecyl 4-hydroxy-3-(2-hydroxy-5-tridecoxycarbonylphenyl)sulfonylbenzoate Traditional Name: 4-hydroxy-3-(2-hydroxy-5-tridecoxycarbonyl-phenyl)sulfonyl-benzoic acid tridecyl ester Formula: C40H62O8S MolecularWeight: 702.98048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H62O8S/c1-3-5-7-9-11-13-15-17-19-21-23-29-47-39(43)33-25-27-35(41)37(31-33)49(45,46)38-32-34(26-28-36(38)42)40(44)48-30-24-22-20-18-16-14-12-10-8-6-4-2/h25-28,31-32,41-42H,3-24,29-30H2,1-2H3