8-[[3-[(3-azanyl-4-methyl-phenyl)carbonylamino]-4-methyl-phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[[3-[(3-azanyl-4-methyl-phenyl)carbonylamino]-4-methyl-phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[3-[(3-amino-4-methyl-benzoyl)amino]-4-methyl-phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[3-[[(3-amino-4-methylphenyl)-oxomethyl]amino]-4-methylphenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[3-[(3-amino-4-methylbenzoyl)amino]-4-methylphenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[3-[(3-amino-4-methyl-benzoyl)amino]-4-methyl-phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Formula: C25H23N3O12S4 MolecularWeight: 685.72302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)C)N

InChI

InChI=1S/C25H23N3O12S4/c1-13-3-5-15(9-20(13)26)25(29)27-21-10-17(6-4-14(21)2)41(30,31)28-22-11-18(42(32,33)34)7-16-8-19(43(35,36)37)12-23(24(16)22)44(38,39)40/h3-12,28H,26H2,1-2H3,(H,27,29)(H,32,33,34)(H,35,36,37)(H,38,39,40)