trisodium 8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonate

Systemtic Name: trisodium 8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonate Openeye Name: trisodium 8-[[3-[(3-aminobenzoyl)amino]-4-methyl-benzoyl]amino]naphthalene-1,3,5-trisulfonate CAS Name: trisodium 8-[[[3-[[(3-aminophenyl)-oxomethyl]amino]-4-methylphenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonate IUPAC Name: trisodium 8-[[3-[(3-aminobenzoyl)amino]-4-methylbenzoyl]amino]naphthalene-1,3,5-trisulfonate Traditional Name: trisodium 8-[[3-[(3-aminobenzoyl)amino]-4-methyl-benzoyl]amino]naphthalene-1,3,5-trisulfonate Formula: C25H18N3Na3O11S3 MolecularWeight: 701.58823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CC=C4)N.[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CC=C4)N.[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H21N3O11S3.3Na/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39;;;/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3