8-[[3-[(3-aminophenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[[3-[(3-aminophenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[3-[(3-aminobenzoyl)amino]benzoyl]amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[[3-[[(3-aminophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[3-[(3-aminobenzoyl)amino]benzoyl]amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[3-[(3-aminobenzoyl)amino]benzoyl]amino]naphthalene-1,3,6-trisulfonic acid Formula: C24H19N3O11S3 MolecularWeight: 621.61616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C(=O)NC2=CC=CC(=C2)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N)C(=O)NC2=CC=CC(=C2)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H19N3O11S3/c25-16-5-1-3-13(7-16)23(28)26-17-6-2-4-14(8-17)24(29)27-20-11-18(39(30,31)32)9-15-10-19(40(33,34)35)12-21(22(15)20)41(36,37)38/h1-12H,25H2,(H,26,28)(H,27,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)