methyl 6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-7-(4-octylphenyl)-7-oxidanyl-heptanoate

Systemtic Name: methyl 6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-7-(4-octylphenyl)-7-oxidanyl-heptanoate Openeye Name: methyl 7-hydroxy-6-(3-methoxy-3-oxo-propyl)sulfanyl-7-(4-octylphenyl)heptanoate CAS Name: 7-hydroxy-6-[(3-methoxy-3-oxopropyl)thio]-7-(4-octylphenyl)heptanoic acid methyl ester IUPAC Name: methyl 7-hydroxy-6-(3-methoxy-3-oxopropyl)sulfanyl-7-(4-octylphenyl)heptanoate Traditional Name: 7-hydroxy-6-[(3-keto-3-methoxy-propyl)thio]-7-(4-octylphenyl)enanthic acid methyl ester Formula: C26H42O5S MolecularWeight: 466.67368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(C(CCCCC(=O)OC)SCCC(=O)OC)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(C(CCCCC(=O)OC)SCCC(=O)OC)O

InChI

InChI=1S/C26H42O5S/c1-4-5-6-7-8-9-12-21-15-17-22(18-16-21)26(29)23(32-20-19-25(28)31-3)13-10-11-14-24(27)30-2/h15-18,23,26,29H,4-14,19-20H2,1-3H3