7-azanylphenanthrene-2-carboxylic acid; 6-azanylpyrene-1-carboxylic acid; 7-azanylpyrene-2-carboxylic acid

Systemtic Name: 7-azanylphenanthrene-2-carboxylic acid; 6-azanylpyrene-1-carboxylic acid; 7-azanylpyrene-2-carboxylic acid Openeye Name: 7-aminophenanthrene-2-carboxylic acid; 6-aminopyrene-1-carboxylic acid; 7-aminopyrene-2-carboxylic acid CAS Name: 7-amino-2-phenanthrenecarboxylic acid; 6-amino-1-pyrenecarboxylic acid; 7-amino-2-pyrenecarboxylic acid IUPAC Name: 7-aminophenanthrene-2-carboxylic acid; 6-aminopyrene-1-carboxylic acid; 7-aminopyrene-2-carboxylic acid Traditional Name: 7-aminophenanthrene-2-carboxylic acid; 6-aminopyrene-1-carboxylic acid; 7-aminopyrene-2-carboxylic acid Formula: C49H33N3O6 MolecularWeight: 759.80282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)N)C(=O)O.C1=CC2=CC(=CC3=C2C4=C(C=C3)C=C(C=C41)C(=O)O)N.C1=CC2=C(C=CC3=C2C=CC(=C3)N)C=C1C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)N)C(=O)O.C1=CC2=CC(=CC3=C2C4=C(C=C3)C=C(C=C41)C(=O)O)N.C1=CC2=C(C=CC3=C2C=CC(=C3)N)C=C1C(=O)O

InChI

InChI=1S/2C17H11NO2.C15H11NO2/c18-14-8-4-10-1-5-11-12(17(19)20)6-2-9-3-7-13(14)16(10)15(9)11;18-14-7-11-3-1-9-5-13(17(19)20)6-10-2-4-12(8-14)16(11)15(9)10;16-12-4-6-14-10(8-12)2-1-9-7-11(15(17)18)3-5-13(9)14/h2*1-8H,18H2,(H,19,20);1-8H,16H2,(H,17,18)