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

Systemtic Name: sodium 1-azanyl-4-[(3-azanyl-2,4,6-trimethyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(3-amino-2,4,6-trimethyl-anilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(3-amino-2,4,6-trimethylanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(3-amino-2,4,6-trimethylanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(3-amino-2,4,6-trimethyl-anilino)-9,10-diketo-anthracene-2-sulfonate Formula: C23H20N3NaO5S MolecularWeight: 473.47677

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5S.Na/c1-10-8-11(2)21(12(3)19(10)24)26-15-9-16(32(29,30)31)20(25)18-17(15)22(27)13-6-4-5-7-14(13)23(18)28;/h4-9,26H,24-25H2,1-3H3,(H,29,30,31);/q;+1/p-1