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

Systemtic Name: sodium 1-azanyl-4-[(3-azanyl-2,4,6-trimethyl-5-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfonato-anilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfonatoanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfonato-anilino)-9,10-diketo-anthracene-2-sulfonate Formula: C23H19N3NaO8S2- MolecularWeight: 552.53203

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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+]

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+]

InChI

InChI=1S/C23H21N3O8S2.Na/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;+1/p-2