3-methoxy-4-[[2-methoxy-3-oxidanyl-3-oxidanylidene-1-[2-(14-phenyltetradecyl)phenyl]propyl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[2-methoxy-3-oxidanyl-3-oxidanylidene-1-[2-(14-phenyltetradecyl)phenyl]propyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[3-hydroxy-2-methoxy-3-oxo-1-[2-(14-phenyltetradecyl)phenyl]propyl]sulfanylmethyl]-3-methoxy-benzoic acid CAS Name: 4-[[[3-hydroxy-2-methoxy-3-oxo-1-[2-(14-phenyltetradecyl)phenyl]propyl]thio]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[3-hydroxy-2-methoxy-3-oxo-1-[2-(14-phenyltetradecyl)phenyl]propyl]sulfanylmethyl]-3-methoxybenzoic acid Traditional Name: 4-[[[3-hydroxy-3-keto-2-methoxy-1-[2-(14-phenyltetradecyl)phenyl]propyl]thio]methyl]-3-methoxy-benzoic acid Formula: C39H52O6S MolecularWeight: 648.89158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CSC(C2=CC=CC=C2CCCCCCCCCCCCCCC3=CC=CC=C3)C(C(=O)O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CSC(C2=CC=CC=C2CCCCCCCCCCCCCCC3=CC=CC=C3)C(C(=O)O)OC

InChI

InChI=1S/C39H52O6S/c1-44-35-28-32(38(40)41)26-27-33(35)29-46-37(36(45-2)39(42)43)34-25-19-18-24-31(34)23-17-12-10-8-6-4-3-5-7-9-11-14-20-30-21-15-13-16-22-30/h13,15-16,18-19,21-22,24-28,36-37H,3-12,14,17,20,23,29H2,1-2H3,(H,40,41)(H,42,43)