8-[[5-[(5-azanyl-2-methyl-phenyl)carbonylamino]-2-methyl-phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[[5-[(5-azanyl-2-methyl-phenyl)carbonylamino]-2-methyl-phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[5-[(5-amino-2-methyl-benzoyl)amino]-2-methyl-phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[5-[[(5-amino-2-methylphenyl)-oxomethyl]amino]-2-methylphenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[5-[(5-amino-2-methylbenzoyl)amino]-2-methylphenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[5-[(5-amino-2-methyl-benzoyl)amino]-2-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)N)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

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