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

Systemtic Name: 4-[4-(3-carboxy-4-oxidanyl-naphthalen-1-yl)-4-oxidanylidene-butyl]-1-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 4-[4-(3-carboxy-4-hydroxy-1-naphthyl)-4-oxo-butyl]-1-hydroxy-naphthalene-2-carboxylic acid CAS Name: 4-[4-(3-carboxy-4-hydroxy-1-naphthalenyl)-4-oxobutyl]-1-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: 4-[4-(3-carboxy-4-hydroxynaphthalen-1-yl)-4-oxobutyl]-1-hydroxynaphthalene-2-carboxylic acid Traditional Name: 4-[4-(3-carboxy-4-hydroxy-1-naphthyl)-4-keto-butyl]-1-hydroxy-2-naphthoic acid Formula: C26H20O7 MolecularWeight: 444.4328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20O7/c27-22(19-13-21(26(32)33)24(29)18-10-4-2-8-16(18)19)11-5-6-14-12-20(25(30)31)23(28)17-9-3-1-7-15(14)17/h1-4,7-10,12-13,28-29H,5-6,11H2,(H,30,31)(H,32,33)