3-[6-methoxy-1-(4-nonylphenyl)-6-oxidanylidene-hexyl]sulfanylpropanoic acid

Systemtic Name: 3-[6-methoxy-1-(4-nonylphenyl)-6-oxidanylidene-hexyl]sulfanylpropanoic acid Openeye Name: 3-[6-methoxy-1-(4-nonylphenyl)-6-oxo-hexyl]sulfanylpropanoic acid CAS Name: 3-[[6-methoxy-1-(4-nonylphenyl)-6-oxohexyl]thio]propanoic acid IUPAC Name: 3-[6-methoxy-1-(4-nonylphenyl)-6-oxohexyl]sulfanylpropanoic acid Traditional Name: 3-[[6-keto-6-methoxy-1-(4-nonylphenyl)hexyl]thio]propionic acid Formula: C25H40O4S MolecularWeight: 436.6477

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)SCCC(=O)O

InChI

InChI=1S/C25H40O4S/c1-3-4-5-6-7-8-9-12-21-15-17-22(18-16-21)23(30-20-19-24(26)27)13-10-11-14-25(28)29-2/h15-18,23H,3-14,19-20H2,1-2H3,(H,26,27)