methyl 6-[6-methoxy-1-(4-nonylphenyl)-2-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: methyl 6-[6-methoxy-1-(4-nonylphenyl)-2-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: methyl 6-[2-hydroxy-6-methoxy-1-(4-nonylphenyl)-6-oxo-hexyl]sulfanyl-3-methyl-benzofuran-2-carboxylate CAS Name: 6-[[2-hydroxy-6-methoxy-1-(4-nonylphenyl)-6-oxohexyl]thio]-3-methyl-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 6-[2-hydroxy-6-methoxy-1-(4-nonylphenyl)-6-oxohexyl]sulfanyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 6-[[2-hydroxy-6-keto-6-methoxy-1-(4-nonylphenyl)hexyl]thio]-3-methyl-coumarilic acid methyl ester Formula: C33H44O6S MolecularWeight: 568.76386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)OC)O)SC2=CC3=C(C=C2)C(=C(O3)C(=O)OC)C

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)OC)O)SC2=CC3=C(C=C2)C(=C(O3)C(=O)OC)C

InChI

InChI=1S/C33H44O6S/c1-5-6-7-8-9-10-11-13-24-16-18-25(19-17-24)32(28(34)14-12-15-30(35)37-3)40-26-20-21-27-23(2)31(33(36)38-4)39-29(27)22-26/h16-22,28,32,34H,5-15H2,1-4H3