disodium 1-azanyl-4-[(3-azanyl-2,4,6-trimethyl-5-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: disodium 1-azanyl-4-[(3-azanyl-2,4,6-trimethyl-5-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: disodium 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfonato-anilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfonatoanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfonato-anilino)-9,10-diketo-anthracene-2-sulfonate Formula: C23H19N3Na2O8S2 MolecularWeight: 575.5218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O8S2.2Na/c1-9-18(24)10(2)23(36(32,33)34)11(3)20(9)26-14-8-15(35(29,30)31)19(25)17-16(14)21(27)12-6-4-5-7-13(12)22(17)28;;/h4-8,26H,24-25H2,1-3H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2