4-[4,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanylbenzoic acid

Systemtic Name: 4-[4,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanylbenzoic acid Openeye Name: 4-(4,6-dihydroxy-6-oxo-hexyl)sulfanylbenzoic acid CAS Name: 4-[(4,6-dihydroxy-6-oxohexyl)thio]benzoic acid IUPAC Name: 4-(4,6-dihydroxy-6-oxohexyl)sulfanylbenzoic acid Traditional Name: 4-[(4,6-dihydroxy-6-keto-hexyl)thio]benzoic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCCCC(CC(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCCCC(CC(=O)O)O

InChI

InChI=1S/C13H16O5S/c14-10(8-12(15)16)2-1-7-19-11-5-3-9(4-6-11)13(17)18/h3-6,10,14H,1-2,7-8H2,(H,15,16)(H,17,18)