1H-1,2-benzodiazepine; 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; hydrate

Systemtic Name: 1H-1,2-benzodiazepine; 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; hydrate Openeye Name: 1H-1,2-benzodiazepine; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; hydrate CAS Name: 1H-1,2-benzodiazepine; 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; hydrate IUPAC Name: 1H-1,2-benzodiazepine; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; hydrate Traditional Name: 1H-1,2-benzodiazepine; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; hydrate Formula: C32H26N2O7 MolecularWeight: 550.55804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=NN2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=NN2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.O

InChI

InChI=1S/C23H16O6.C9H8N2.H2O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-2-6-9-8(4-1)5-3-7-10-11-9;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-7,11H;1H2