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

Systemtic Name: 8-[(5,8-dimethoxy-2-methyl-quinolin-4-yl)amino]naphthalene-1,3,5-trisulfonic acid; sodium Openeye Name: 8-[(5,8-dimethoxy-2-methyl-4-quinolyl)amino]naphthalene-1,3,5-trisulfonic acid; sodium CAS Name: 8-[(5,8-dimethoxy-2-methyl-4-quinolinyl)amino]naphthalene-1,3,5-trisulfonic acid; sodium IUPAC Name: 8-[(5,8-dimethoxy-2-methylquinolin-4-yl)amino]naphthalene-1,3,5-trisulfonic acid; sodium Traditional Name: 8-[(5,8-dimethoxy-2-methyl-4-quinolyl)amino]naphthalene-1,3,5-trisulfonic acid; sodium Formula: C22H20N2NaO11S3 MolecularWeight: 607.58577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O11S3.Na/c1-11-8-15(21-16(34-2)5-6-17(35-3)22(21)23-11)24-14-4-7-18(37(28,29)30)13-9-12(36(25,26)27)10-19(20(13)14)38(31,32)33;/h4-10H,1-3H3,(H,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33);