2-(4-butoxyphenyl)sulfanyloctanoic acid

Systemtic Name: 2-(4-butoxyphenyl)sulfanyloctanoic acid Openeye Name: 2-(4-butoxyphenyl)sulfanyloctanoic acid CAS Name: 2-[(4-butoxyphenyl)thio]octanoic acid IUPAC Name: 2-(4-butoxyphenyl)sulfanyloctanoic acid Traditional Name: 2-[(4-butoxyphenyl)thio]caprylic acid Formula: C18H28O3S MolecularWeight: 324.47812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)OCCCC

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)OCCCC

InChI

InChI=1S/C18H28O3S/c1-3-5-7-8-9-17(18(19)20)22-16-12-10-15(11-13-16)21-14-6-4-2/h10-13,17H,3-9,14H2,1-2H3,(H,19,20)