8-[[3-[(3-azanyl-4-methyl-phenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[[3-[(3-azanyl-4-methyl-phenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[3-[(3-amino-4-methyl-benzoyl)amino]-4-methyl-benzoyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[[3-[[(3-amino-4-methylphenyl)-oxomethyl]amino]-4-methylphenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[[3-[(3-amino-4-methylbenzoyl)amino]-4-methylbenzoyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[3-[(3-amino-4-methyl-benzoyl)amino]-4-methyl-benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C26H23N3O11S3 MolecularWeight: 649.66932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)N

InChI

InChI=1S/C26H23N3O11S3/c1-13-3-5-15(9-19(13)27)25(30)29-21-10-16(6-4-14(21)2)26(31)28-20-7-8-22(42(35,36)37)18-11-17(41(32,33)34)12-23(24(18)20)43(38,39)40/h3-12H,27H2,1-2H3,(H,28,31)(H,29,30)(H,32,33,34)(H,35,36,37)(H,38,39,40)