phenethyl 4-oxidanyl-3-(2-oxidanyl-5-phenethyloxycarbonyl-phenyl)sulfanyl-benzoate

Systemtic Name: phenethyl 4-oxidanyl-3-(2-oxidanyl-5-phenethyloxycarbonyl-phenyl)sulfanyl-benzoate Openeye Name: phenethyl 4-hydroxy-3-(2-hydroxy-5-phenethyloxycarbonyl-phenyl)sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-hydroxy-5-[oxo(phenethyloxy)methyl]phenyl]thio]benzoic acid phenethyl ester IUPAC Name: phenethyl 4-hydroxy-3-(2-hydroxy-5-phenethyloxycarbonylphenyl)sulfanylbenzoate Traditional Name: 4-hydroxy-3-[(2-hydroxy-5-phenethyloxycarbonyl-phenyl)thio]benzoic acid phenethyl ester Formula: C30H26O6S MolecularWeight: 514.58884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C2=CC(=C(C=C2)O)SC3=C(C=CC(=C3)C(=O)OCCC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)C2=CC(=C(C=C2)O)SC3=C(C=CC(=C3)C(=O)OCCC4=CC=CC=C4)O

InChI

InChI=1S/C30H26O6S/c31-25-13-11-23(29(33)35-17-15-21-7-3-1-4-8-21)19-27(25)37-28-20-24(12-14-26(28)32)30(34)36-18-16-22-9-5-2-6-10-22/h1-14,19-20,31-32H,15-18H2