methyl 7-[1-(4-tert-butylphenyl)-6-methoxy-2-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylate

Systemtic Name: methyl 7-[1-(4-tert-butylphenyl)-6-methoxy-2-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylate Openeye Name: methyl 7-[1-(4-tert-butylphenyl)-2-hydroxy-6-methoxy-6-oxo-hexyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylate CAS Name: 7-[[1-(4-tert-butylphenyl)-2-hydroxy-6-methoxy-6-oxohexyl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid methyl ester IUPAC Name: methyl 7-[1-(4-tert-butylphenyl)-2-hydroxy-6-methoxy-6-oxohexyl]sulfanyl-4-oxo-8-propylchromene-2-carboxylate Traditional Name: 7-[[1-(4-tert-butylphenyl)-2-hydroxy-6-keto-6-methoxy-hexyl]thio]-4-keto-8-propyl-chromene-2-carboxylic acid methyl ester Formula: C31H38O7S MolecularWeight: 554.69422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)OC)SC(C3=CC=C(C=C3)C(C)(C)C)C(CCCC(=O)OC)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)OC)SC(C3=CC=C(C=C3)C(C)(C)C)C(CCCC(=O)OC)O

InChI

InChI=1S/C31H38O7S/c1-7-9-22-26(17-16-21-24(33)18-25(30(35)37-6)38-28(21)22)39-29(23(32)10-8-11-27(34)36-5)19-12-14-20(15-13-19)31(2,3)4/h12-18,23,29,32H,7-11H2,1-6H3