5-phenylpentyl 4-oxidanyl-3-[2-oxidanyl-5-(5-phenylpentoxycarbonyl)phenyl]sulfanyl-benzoate

Systemtic Name: 5-phenylpentyl 4-oxidanyl-3-[2-oxidanyl-5-(5-phenylpentoxycarbonyl)phenyl]sulfanyl-benzoate Openeye Name: 5-phenylpentyl 4-hydroxy-3-[2-hydroxy-5-(5-phenylpentoxycarbonyl)phenyl]sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-hydroxy-5-[oxo(5-phenylpentoxy)methyl]phenyl]thio]benzoic acid 5-phenylpentyl ester IUPAC Name: 5-phenylpentyl 4-hydroxy-3-[2-hydroxy-5-(5-phenylpentoxycarbonyl)phenyl]sulfanylbenzoate Traditional Name: 4-hydroxy-3-[[2-hydroxy-5-(5-phenylpentoxycarbonyl)phenyl]thio]benzoic acid 5-phenylpentyl ester Formula: C36H38O6S MolecularWeight: 598.74832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCOC(=O)C2=CC(=C(C=C2)O)SC3=C(C=CC(=C3)C(=O)OCCCCCC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCOC(=O)C2=CC(=C(C=C2)O)SC3=C(C=CC(=C3)C(=O)OCCCCCC4=CC=CC=C4)O

InChI

InChI=1S/C36H38O6S/c37-31-21-19-29(35(39)41-23-11-3-9-17-27-13-5-1-6-14-27)25-33(31)43-34-26-30(20-22-32(34)38)36(40)42-24-12-4-10-18-28-15-7-2-8-16-28/h1-2,5-8,13-16,19-22,25-26,37-38H,3-4,9-12,17-18,23-24H2