2-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxy-5-(2-methylbutan-2-yl)benzenesulfonic acid

Systemtic Name: 2-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxy-5-(2-methylbutan-2-yl)benzenesulfonic acid Openeye Name: 2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-5-(1,1-dimethylpropyl)benzenesulfonic acid CAS Name: 2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-5-(2-methylbutan-2-yl)benzenesulfonic acid IUPAC Name: 2-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxy-5-(2-methylbutan-2-yl)benzenesulfonic acid Traditional Name: 2-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]-5-tert-amyl-besylic acid Formula: C25H23NO7S MolecularWeight: 481.51762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C25H23NO7S/c1-4-25(2,3)13-9-10-17(19(11-13)34(30,31)32)33-18-12-16(27)20-21(22(18)26)24(29)15-8-6-5-7-14(15)23(20)28/h5-12,27H,4,26H2,1-3H3,(H,30,31,32)