4-[6,8-bis(oxidanyl)-8-oxidanylidene-octyl]sulfanylbenzoic acid

Systemtic Name: 4-[6,8-bis(oxidanyl)-8-oxidanylidene-octyl]sulfanylbenzoic acid Openeye Name: 4-(6,8-dihydroxy-8-oxo-octyl)sulfanylbenzoic acid CAS Name: 4-[(6,8-dihydroxy-8-oxooctyl)thio]benzoic acid IUPAC Name: 4-(6,8-dihydroxy-8-oxooctyl)sulfanylbenzoic acid Traditional Name: 4-[(6,8-dihydroxy-8-keto-octyl)thio]benzoic acid Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCCCCCC(CC(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCCCCCC(CC(=O)O)O

InChI

InChI=1S/C15H20O5S/c16-12(10-14(17)18)4-2-1-3-9-21-13-7-5-11(6-8-13)15(19)20/h5-8,12,16H,1-4,9-10H2,(H,17,18)(H,19,20)