disodium 5-azanyl-6-methyl-8-[(4-methyl-2-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-1-sulfonate

Systemtic Name: disodium 5-azanyl-6-methyl-8-[(4-methyl-2-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-1-sulfonate Openeye Name: disodium 5-amino-6-methyl-8-(4-methyl-2-sulfonato-anilino)-9,10-dioxo-anthracene-1-sulfonate CAS Name: disodium 5-amino-6-methyl-8-(4-methyl-2-sulfonatoanilino)-9,10-dioxo-1-anthracenesulfonate IUPAC Name: disodium 5-amino-6-methyl-8-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracene-1-sulfonate Traditional Name: disodium 5-amino-9,10-diketo-6-methyl-8-(4-methyl-2-sulfonato-anilino)anthracene-1-sulfonate Formula: C22H16N2Na2O8S2 MolecularWeight: 546.48058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C(=C(C(=C2)C)N)C(=O)C4=C(C3=O)C(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C(=C(C(=C2)C)N)C(=O)C4=C(C3=O)C(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H18N2O8S2.2Na/c1-10-6-7-13(16(8-10)34(30,31)32)24-14-9-11(2)20(23)19-18(14)22(26)17-12(21(19)25)4-3-5-15(17)33(27,28)29;;/h3-9,24H,23H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2