8-[(3-aminophenyl)carbonyl-(3-aminophenyl)sulfonyl-amino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(3-aminophenyl)carbonyl-(3-aminophenyl)sulfonyl-amino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[(3-aminobenzoyl)-(3-aminophenyl)sulfonyl-amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[(3-aminophenyl)-oxomethyl]-(3-aminophenyl)sulfonylamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[(3-aminobenzoyl)-(3-aminophenyl)sulfonylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[(3-aminobenzoyl)-(3-aminophenyl)sulfonyl-amino]naphthalene-1,3,6-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(=C2)S(=O)(=O)O)C=C(C=C3S(=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(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)C4=CC=CC(=C4)N

InChI

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