4-[6-(3-carboxy-4-oxidanyl-naphthalen-1-yl)-6-oxidanylidene-hexanoyl]-1-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 4-[6-(3-carboxy-4-oxidanyl-naphthalen-1-yl)-6-oxidanylidene-hexanoyl]-1-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 4-[6-(3-carboxy-4-hydroxy-1-naphthyl)-6-oxo-hexanoyl]-1-hydroxy-naphthalene-2-carboxylic acid CAS Name: 4-[6-(3-carboxy-4-hydroxy-1-naphthalenyl)-1,6-dioxohexyl]-1-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: 4-[6-(3-carboxy-4-hydroxynaphthalen-1-yl)-6-oxohexanoyl]-1-hydroxynaphthalene-2-carboxylic acid Traditional Name: 4-[6-(3-carboxy-4-hydroxy-1-naphthyl)-6-keto-hexanoyl]-1-hydroxy-2-naphthoic acid Formula: C28H22O8 MolecularWeight: 486.46948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)C(=O)CCCCC(=O)C3=CC(=C(C4=CC=CC=C43)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)C(=O)CCCCC(=O)C3=CC(=C(C4=CC=CC=C43)O)C(=O)O

InChI

InChI=1S/C28H22O8/c29-23(19-13-21(27(33)34)25(31)17-9-3-1-7-15(17)19)11-5-6-12-24(30)20-14-22(28(35)36)26(32)18-10-4-2-8-16(18)20/h1-4,7-10,13-14,31-32H,5-6,11-12H2,(H,33,34)(H,35,36)