7-[[4-[(4-aminophenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3-disulfonic acid; sodium

Systemtic Name: 7-[[4-[(4-aminophenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3-disulfonic acid; sodium Openeye Name: 7-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]naphthalene-1,3-disulfonic acid; sodium CAS Name: 7-[[[4-[[(4-aminophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3-disulfonic acid; sodium IUPAC Name: 7-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]naphthalene-1,3-disulfonic acid; sodium Traditional Name: 7-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]naphthalene-1,3-disulfonic acid; sodium Formula: C24H19N3NaO8S2 MolecularWeight: 564.54273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)N.[Na]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)N.[Na]

InChI

InChI=1S/C24H19N3O8S2.Na/c25-17-6-1-14(2-7-17)23(28)26-18-8-3-15(4-9-18)24(29)27-19-10-5-16-11-20(36(30,31)32)13-22(21(16)12-19)37(33,34)35;/h1-13H,25H2,(H,26,28)(H,27,29)(H,30,31,32)(H,33,34,35);