disodium 1-azanyl-4-[(3-azanyl-2-methyl-5-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: disodium 1-azanyl-4-[(3-azanyl-2-methyl-5-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: disodium 1-amino-4-(3-amino-2-methyl-5-sulfonato-anilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-4-(3-amino-2-methyl-5-sulfonatoanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 1-amino-4-(3-amino-2-methyl-5-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 1-amino-4-(3-amino-2-methyl-5-sulfonato-anilino)-9,10-diketo-anthracene-2-sulfonate Formula: C21H15N3Na2O8S2 MolecularWeight: 547.46864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)S(=O)(=O)[O-])NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1N)S(=O)(=O)[O-])NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H17N3O8S2.2Na/c1-9-13(22)6-10(33(27,28)29)7-14(9)24-15-8-16(34(30,31)32)19(23)18-17(15)20(25)11-4-2-3-5-12(11)21(18)26;;/h2-8,24H,22-23H2,1H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2