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

Systemtic Name: sodium 1-azanyl-4-[(4-butylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(4-butylanilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(4-butylanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(4-butylanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(4-butylanilino)-9,10-diketo-anthracene-2-sulfonate Formula: C24H21N2NaO5S MolecularWeight: 472.48871

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI

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