methyl 6-(4-butylphenyl)-6-[3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-8-propyl-chromen-7-yl]sulfanyl-5-oxidanyl-hexanoate

Systemtic Name: methyl 6-(4-butylphenyl)-6-[3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-8-propyl-chromen-7-yl]sulfanyl-5-oxidanyl-hexanoate Openeye Name: methyl 6-(4-butylphenyl)-5-hydroxy-6-[3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-8-propyl-chromen-7-yl]sulfanyl-hexanoate CAS Name: 6-(4-butylphenyl)-5-hydroxy-6-[[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-8-propyl-1-benzopyran-7-yl]thio]hexanoic acid methyl ester IUPAC Name: methyl 6-(4-butylphenyl)-5-hydroxy-6-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-8-propylchromen-7-yl]sulfanylhexanoate Traditional Name: 6-(4-butylphenyl)-5-hydroxy-6-[[2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-8-propyl-chromen-7-yl]thio]hexanoic acid methyl ester Formula: C33H42O7S MolecularWeight: 582.74738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C(CCCC(=O)OC)O)SC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC(=O)OC)C)CCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C(CCCC(=O)OC)O)SC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC(=O)OC)C)CCC

InChI

InChI=1S/C33H42O7S/c1-6-8-11-22-14-16-23(17-15-22)32(27(34)12-9-13-29(35)38-4)41-28-19-18-24-21(3)26(20-30(36)39-5)33(37)40-31(24)25(28)10-7-2/h14-19,27,32,34H,6-13,20H2,1-5H3