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

Systemtic Name: sodium 1-azanyl-4-[(2,6-diethyl-4-methyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(2,6-diethyl-4-methyl-anilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(2,6-diethyl-4-methylanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(2,6-diethyl-4-methylanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(2,6-diethyl-4-methyl-anilino)-9,10-diketo-anthracene-2-sulfonate Formula: C25H23N2NaO5S MolecularWeight: 486.51529

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])CC)C.[Na+]

Isomeric SMILES

CCC1=CC(=CC(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])CC)C.[Na+]

InChI

InChI=1S/C25H24N2O5S.Na/c1-4-14-10-13(3)11-15(5-2)23(14)27-18-12-19(33(30,31)32)22(26)21-20(18)24(28)16-8-6-7-9-17(16)25(21)29;/h6-12,27H,4-5,26H2,1-3H3,(H,30,31,32);/q;+1/p-1