benzo[b][1,4]benzoxazepine; 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: benzo[b][1,4]benzoxazepine; 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: benzo[b][1,4]benzoxazepine; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid CAS Name: benzo[b][1,4]benzoxazepine; 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: benzo[b][1,4]benzoxazepine; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid Traditional Name: benzo[b][1,4]benzoxazepine; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid Formula: C36H25NO7 MolecularWeight: 583.5862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=CC=C2C(=C1)C=NC3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=CC=C2C(=C1)C=NC3=CC=CC=C3O2

InChI

InChI=1S/C23H16O6.C13H9NO/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;1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-9H