sodium 5-tert-butyl-2-[[8-oxidanyl-9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]benzenesulfonate

Systemtic Name: sodium 5-tert-butyl-2-[[8-oxidanyl-9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]benzenesulfonate Openeye Name: sodium 5-tert-butyl-2-[[8-hydroxy-4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]benzenesulfonate CAS Name: sodium 5-tert-butyl-2-[[8-hydroxy-9,10-dioxo-4-(propan-2-ylamino)-1-anthracenyl]amino]benzenesulfonate IUPAC Name: sodium 5-tert-butyl-2-[[8-hydroxy-9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]benzenesulfonate Traditional Name: sodium 5-tert-butyl-2-[[8-hydroxy-4-(isopropylamino)-9,10-diketo-1-anthryl]amino]besylate Formula: C27H27N2NaO6S MolecularWeight: 530.56785

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C2C(=C(C=C1)NC3=C(C=C(C=C3)C(C)(C)C)S(=O)(=O)[O-])C(=O)C4=C(C2=O)C=CC=C4O.[Na+]

Isomeric SMILES

CC(C)NC1=C2C(=C(C=C1)NC3=C(C=C(C=C3)C(C)(C)C)S(=O)(=O)[O-])C(=O)C4=C(C2=O)C=CC=C4O.[Na+]

InChI

InChI=1S/C27H28N2O6S.Na/c1-14(2)28-18-11-12-19(24-23(18)25(31)16-7-6-8-20(30)22(16)26(24)32)29-17-10-9-15(27(3,4)5)13-21(17)36(33,34)35;/h6-14,28-30H,1-5H3,(H,33,34,35);/q;+1/p-1