6-[1-(4-nonylphenyl)-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanylnaphthalene-2-carboxylic acid

Systemtic Name: 6-[1-(4-nonylphenyl)-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanylnaphthalene-2-carboxylic acid Openeye Name: 6-[2,6-dihydroxy-1-(4-nonylphenyl)-6-oxo-hexyl]sulfanylnaphthalene-2-carboxylic acid CAS Name: 6-[[2,6-dihydroxy-1-(4-nonylphenyl)-6-oxohexyl]thio]-2-naphthalenecarboxylic acid IUPAC Name: 6-[2,6-dihydroxy-1-(4-nonylphenyl)-6-oxohexyl]sulfanylnaphthalene-2-carboxylic acid Traditional Name: 6-[[2,6-dihydroxy-6-keto-1-(4-nonylphenyl)hexyl]thio]-2-naphthoic acid Formula: C32H40O5S MolecularWeight: 536.722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC2=CC3=C(C=C2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC2=CC3=C(C=C2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C32H40O5S/c1-2-3-4-5-6-7-8-10-23-13-15-24(16-14-23)31(29(33)11-9-12-30(34)35)38-28-20-19-25-21-27(32(36)37)18-17-26(25)22-28/h13-22,29,31,33H,2-12H2,1H3,(H,34,35)(H,36,37)