8-[(5,8-dimethoxy-2-methyl-6-nitro-quinolin-3-yl)amino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[(5,8-dimethoxy-2-methyl-6-nitro-quinolin-3-yl)amino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[(5,8-dimethoxy-2-methyl-6-nitro-3-quinolyl)amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[(5,8-dimethoxy-2-methyl-6-nitro-3-quinolinyl)amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[(5,8-dimethoxy-2-methyl-6-nitroquinolin-3-yl)amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[(5,8-dimethoxy-2-methyl-6-nitro-3-quinolyl)amino]naphthalene-1,3,5-trisulfonic acid Formula: C22H19N3O13S3 MolecularWeight: 629.59356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(C=C(C2=N1)OC)[N+](=O)[O-])OC)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C2C(=C(C=C(C2=N1)OC)[N+](=O)[O-])OC)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H19N3O13S3/c1-10-15(8-13-21(23-10)17(37-2)9-16(25(26)27)22(13)38-3)24-14-4-5-18(40(31,32)33)12-6-11(39(28,29)30)7-19(20(12)14)41(34,35)36/h4-9,24H,1-3H3,(H,28,29,30)(H,31,32,33)(H,34,35,36)