8-[(5,8-dimethoxy-2-methyl-6-nitro-quinolin-4-yl)amino]naphthalene-1,3,5-trisulfonic acid; sodium

Systemtic Name: 8-[(5,8-dimethoxy-2-methyl-6-nitro-quinolin-4-yl)amino]naphthalene-1,3,5-trisulfonic acid; sodium Openeye Name: 8-[(5,8-dimethoxy-2-methyl-6-nitro-4-quinolyl)amino]naphthalene-1,3,5-trisulfonic acid; sodium CAS Name: 8-[(5,8-dimethoxy-2-methyl-6-nitro-4-quinolinyl)amino]naphthalene-1,3,5-trisulfonic acid; sodium IUPAC Name: 8-[(5,8-dimethoxy-2-methyl-6-nitroquinolin-4-yl)amino]naphthalene-1,3,5-trisulfonic acid; sodium Traditional Name: 8-[(5,8-dimethoxy-2-methyl-6-nitro-4-quinolyl)amino]naphthalene-1,3,5-trisulfonic acid; sodium Formula: C22H19N3NaO13S3 MolecularWeight: 652.58333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C(=C2C(=C1)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OC)[N+](=O)[O-])OC.[Na]

Isomeric SMILES

CC1=NC2=C(C=C(C(=C2C(=C1)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OC)[N+](=O)[O-])OC.[Na]

InChI

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