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

Systemtic Name: 5-tert-butyl-2-[[8-oxidanyl-9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 5-tert-butyl-2-[[8-hydroxy-4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]benzenesulfonic acid CAS Name: 5-tert-butyl-2-[[8-hydroxy-9,10-dioxo-4-(propan-2-ylamino)-1-anthracenyl]amino]benzenesulfonic acid IUPAC Name: 5-tert-butyl-2-[[8-hydroxy-9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]benzenesulfonic acid Traditional Name: 5-tert-butyl-2-[[8-hydroxy-4-(isopropylamino)-9,10-diketo-1-anthryl]amino]besylic acid Formula: C27H28N2O6S MolecularWeight: 508.58602

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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

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

InChI

InChI=1S/C27H28N2O6S/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)