3-[2-(3-dodecylthiophen-2-yl)-2,3-bis(oxidanyl)-3-oxidanylidene-propyl]sulfanylbenzoic acid

Systemtic Name: 3-[2-(3-dodecylthiophen-2-yl)-2,3-bis(oxidanyl)-3-oxidanylidene-propyl]sulfanylbenzoic acid Openeye Name: 3-[2-(3-dodecyl-2-thienyl)-2,3-dihydroxy-3-oxo-propyl]sulfanylbenzoic acid CAS Name: 3-[[2-(3-dodecyl-2-thiophenyl)-2,3-dihydroxy-3-oxopropyl]thio]benzoic acid IUPAC Name: 3-[2-(3-dodecylthiophen-2-yl)-2,3-dihydroxy-3-oxopropyl]sulfanylbenzoic acid Traditional Name: 3-[[2,3-dihydroxy-3-keto-2-(3-lauryl-2-thienyl)propyl]thio]benzoic acid Formula: C26H36O5S2 MolecularWeight: 492.69104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(SC=C1)C(CSC2=CC=CC(=C2)C(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCC1=C(SC=C1)C(CSC2=CC=CC(=C2)C(=O)O)(C(=O)O)O

InChI

InChI=1S/C26H36O5S2/c1-2-3-4-5-6-7-8-9-10-11-13-20-16-17-32-23(20)26(31,25(29)30)19-33-22-15-12-14-21(18-22)24(27)28/h12,14-18,31H,2-11,13,19H2,1H3,(H,27,28)(H,29,30)