[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl] 4-methylbenzenesulfonate Openeye Name: (4-amino-9,10-dioxo-1-anthryl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-amino-9,10-dioxo-1-anthracenyl) ester IUPAC Name: (4-amino-9,10-dioxoanthracen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-amino-9,10-diketo-1-anthryl) ester Formula: C21H15NO5S MolecularWeight: 393.4125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H15NO5S/c1-12-6-8-13(9-7-12)28(25,26)27-17-11-10-16(22)18-19(17)21(24)15-5-3-2-4-14(15)20(18)23/h2-11H,22H2,1H3