2-azanyl-3-[9,10-bis(oxidanylidene)anthracen-1-yl]-5-methyl-4-(methylamino)benzenesulfonic acid

Systemtic Name: 2-azanyl-3-[9,10-bis(oxidanylidene)anthracen-1-yl]-5-methyl-4-(methylamino)benzenesulfonic acid Openeye Name: 2-amino-3-(9,10-dioxo-1-anthryl)-5-methyl-4-(methylamino)benzenesulfonic acid CAS Name: 2-amino-3-(9,10-dioxo-1-anthracenyl)-5-methyl-4-(methylamino)benzenesulfonic acid IUPAC Name: 2-amino-3-(9,10-dioxoanthracen-1-yl)-5-methyl-4-(methylamino)benzenesulfonic acid Traditional Name: 2-amino-3-(9,10-diketo-1-anthryl)-5-methyl-4-(methylamino)besylic acid Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1NC)C2=C3C(=CC=C2)C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1NC)C2=C3C(=CC=C2)C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C22H18N2O5S/c1-11-10-16(30(27,28)29)19(23)18(20(11)24-2)14-8-5-9-15-17(14)22(26)13-7-4-3-6-12(13)21(15)25/h3-10,24H,23H2,1-2H3,(H,27,28,29)