1-azanyl-4-(2,2-dimethylbutylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-(2,2-dimethylbutylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(2,2-dimethylbutylamino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(2,2-dimethylbutylamino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(2,2-dimethylbutylamino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(2,2-dimethylbutylamino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)O

Isomeric SMILES

CCC(C)(C)CNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-4-20(2,3)10-22-13-9-14(28(25,26)27)17(21)16-15(13)18(23)11-7-5-6-8-12(11)19(16)24/h5-9,22H,4,10,21H2,1-3H3,(H,25,26,27)