5-[(4-aminophenyl)carbonylamino]-3-azanyl-4-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 5-[(4-aminophenyl)carbonylamino]-3-azanyl-4-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 3-amino-5-[(4-aminobenzoyl)amino]-4-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 3-amino-5-[[(4-aminophenyl)-oxomethyl]amino]-4-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 3-amino-5-[(4-aminobenzoyl)amino]-4-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 3-amino-5-[(4-aminobenzoyl)amino]-4-hydroxy-naphthalene-2,7-disulfonic acid Formula: C17H15N3O8S2 MolecularWeight: 453.4463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N)S(=O)(=O)O)N

InChI

InChI=1S/C17H15N3O8S2/c18-10-3-1-8(2-4-10)17(22)20-12-7-11(29(23,24)25)5-9-6-13(30(26,27)28)15(19)16(21)14(9)12/h1-7,21H,18-19H2,(H,20,22)(H,23,24,25)(H,26,27,28)