disodium 1-azanyl-4-[(4-methylphenyl)-sulfonato-amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: disodium 1-azanyl-4-[(4-methylphenyl)-sulfonato-amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: disodium 1-amino-4-(4-methyl-N-sulfonato-anilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-4-(4-methyl-N-sulfonatoanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 1-amino-4-(4-methyl-N-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 1-amino-9,10-diketo-4-(4-methyl-N-sulfonato-anilino)anthracene-2-sulfonate Formula: C21H14N2Na2O8S2 MolecularWeight: 532.454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H16N2O8S2.2Na/c1-11-6-8-12(9-7-11)23(33(29,30)31)15-10-16(32(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25;;/h2-10H,22H2,1H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2