8-[(3-aminophenyl)carbonyl-(3-aminophenyl)sulfonyl-amino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[(3-aminophenyl)carbonyl-(3-aminophenyl)sulfonyl-amino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[(3-aminobenzoyl)-(3-aminophenyl)sulfonyl-amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[(3-aminophenyl)-oxomethyl]-(3-aminophenyl)sulfonylamino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[(3-aminobenzoyl)-(3-aminophenyl)sulfonylamino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[(3-aminobenzoyl)-(3-aminophenyl)sulfonyl-amino]naphthalene-1,3,5-trisulfonic acid Formula: C23H19N3O12S4 MolecularWeight: 657.66986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C(=O)N(C2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)C4=CC=CC(=C4)N

Isomeric SMILES

C1=CC(=CC(=C1)N)C(=O)N(C2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)C4=CC=CC(=C4)N

InChI

InChI=1S/C23H19N3O12S4/c24-14-4-1-3-13(9-14)23(27)26(39(28,29)16-6-2-5-15(25)10-16)19-7-8-20(41(33,34)35)18-11-17(40(30,31)32)12-21(22(18)19)42(36,37)38/h1-12H,24-25H2,(H,30,31,32)(H,33,34,35)(H,36,37,38)