sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(2,4,6-trimethyl-3-sulfo-phenyl)amino]anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(2,4,6-trimethyl-3-sulfo-phenyl)amino]anthracene-2-sulfonate Openeye Name: sodium 1-amino-9,10-dioxo-4-(2,4,6-trimethyl-3-sulfo-anilino)anthracene-2-sulfonate CAS Name: sodium 1-amino-9,10-dioxo-4-(2,4,6-trimethyl-3-sulfoanilino)-2-anthracenesulfonate IUPAC Name: sodium 1-amino-9,10-dioxo-4-(2,4,6-trimethyl-3-sulfoanilino)anthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-(2,4,6-trimethyl-3-sulfo-anilino)anthracene-2-sulfonate Formula: C23H19N2NaO8S2 MolecularWeight: 538.52533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])C)S(=O)(=O)O)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])C)S(=O)(=O)O)C.[Na+]

InChI

InChI=1S/C23H20N2O8S2.Na/c1-10-8-11(2)23(35(31,32)33)12(3)20(10)25-15-9-16(34(28,29)30)19(24)18-17(15)21(26)13-6-4-5-7-14(13)22(18)27;/h4-9,25H,24H2,1-3H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1