lithium 1-azanyl-4-[(4-tert-butylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: lithium 1-azanyl-4-[(4-tert-butylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: lithium 1-amino-4-(4-tert-butylanilino)-9,10-diketo-anthracene-2-sulfonate Formula: C24H21LiN2O5S MolecularWeight: 456.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O5S.Li/c1-24(2,3)13-8-10-14(11-9-13)26-17-12-18(32(29,30)31)21(25)20-19(17)22(27)15-6-4-5-7-16(15)23(20)28;/h4-12,26H,25H2,1-3H3,(H,29,30,31);/q;+1/p-1