7-[1-(1,2-dihydroacenaphthylen-3-yl)-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanyl-2-methoxy-quinoline-3-carboxylic acid

Systemtic Name: 7-[1-(1,2-dihydroacenaphthylen-3-yl)-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanyl-2-methoxy-quinoline-3-carboxylic acid Openeye Name: 7-[1-(1,2-dihydroacenaphthylen-3-yl)-2,6-dihydroxy-6-oxo-hexyl]sulfanyl-2-methoxy-quinoline-3-carboxylic acid CAS Name: 7-[[1-(1,2-dihydroacenaphthylen-3-yl)-2,6-dihydroxy-6-oxohexyl]thio]-2-methoxy-3-quinolinecarboxylic acid IUPAC Name: 7-[1-(1,2-dihydroacenaphthylen-3-yl)-2,6-dihydroxy-6-oxohexyl]sulfanyl-2-methoxyquinoline-3-carboxylic acid Traditional Name: 7-[(1-acenaphthen-3-yl-2,6-dihydroxy-6-keto-hexyl)thio]-2-methoxy-quinoline-3-carboxylic acid Formula: C29H27NO6S MolecularWeight: 517.59278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CC(=CC2=N1)SC(C3=C4CCC5=CC=CC(=C54)C=C3)C(CCCC(=O)O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C2C=CC(=CC2=N1)SC(C3=C4CCC5=CC=CC(=C54)C=C3)C(CCCC(=O)O)O)C(=O)O

InChI

InChI=1S/C29H27NO6S/c1-36-28-22(29(34)35)14-18-8-11-19(15-23(18)30-28)37-27(24(31)6-3-7-25(32)33)21-13-10-17-5-2-4-16-9-12-20(21)26(16)17/h2,4-5,8,10-11,13-15,24,27,31H,3,6-7,9,12H2,1H3,(H,32,33)(H,34,35)