3-(4-aminophenyl)carbonyl-4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 3-(4-aminophenyl)carbonyl-4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-amino-3-(4-aminobenzoyl)-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-amino-3-[(4-aminophenyl)-oxomethyl]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-amino-3-(4-aminobenzoyl)-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-amino-3-(4-aminobenzoyl)-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C17H14N2O8S2 MolecularWeight: 438.43166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)N)N

InChI

InChI=1S/C17H14N2O8S2/c18-10-3-1-8(2-4-10)17(21)15-13(29(25,26)27)6-9-5-11(28(22,23)24)7-12(20)14(9)16(15)19/h1-7,20H,18-19H2,(H,22,23,24)(H,25,26,27)