4-[1-(5-decylthiophen-2-yl)-6-oxidanyl-6-oxidanylidene-hexyl]sulfanylbenzoic acid

Systemtic Name: 4-[1-(5-decylthiophen-2-yl)-6-oxidanyl-6-oxidanylidene-hexyl]sulfanylbenzoic acid Openeye Name: 4-[1-(5-decyl-2-thienyl)-6-hydroxy-6-oxo-hexyl]sulfanylbenzoic acid CAS Name: 4-[[1-(5-decyl-2-thiophenyl)-6-hydroxy-6-oxohexyl]thio]benzoic acid IUPAC Name: 4-[1-(5-decylthiophen-2-yl)-6-hydroxy-6-oxohexyl]sulfanylbenzoic acid Traditional Name: 4-[[1-(5-decyl-2-thienyl)-6-hydroxy-6-keto-hexyl]thio]benzoic acid Formula: C27H38O4S2 MolecularWeight: 490.71822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(S1)C(CCCCC(=O)O)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC=C(S1)C(CCCCC(=O)O)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C27H38O4S2/c1-2-3-4-5-6-7-8-9-12-22-19-20-25(32-22)24(13-10-11-14-26(28)29)33-23-17-15-21(16-18-23)27(30)31/h15-20,24H,2-14H2,1H3,(H,28,29)(H,30,31)