sodium 1-azanyl-4-[(4-tert-butyl-2-methyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[(4-tert-butyl-2-methyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(4-tert-butyl-2-methyl-anilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(4-tert-butyl-2-methylanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(4-tert-butyl-2-methylanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(4-tert-butyl-2-methyl-anilino)-9,10-diketo-anthracene-2-sulfonate Formula: C25H23N2NaO5S MolecularWeight: 486.51529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H24N2O5S.Na/c1-13-11-14(25(2,3)4)9-10-17(13)27-18-12-19(33(30,31)32)22(26)21-20(18)23(28)15-7-5-6-8-16(15)24(21)29;/h5-12,27H,26H2,1-4H3,(H,30,31,32);/q;+1/p-1