[1-azanyl-9,10-bis(oxidanylidene)anthracen-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-azanyl-9,10-bis(oxidanylidene)anthracen-2-yl] 4-methylbenzenesulfonate Openeye Name: (1-amino-9,10-dioxo-2-anthryl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-amino-9,10-dioxo-2-anthracenyl) ester IUPAC Name: (1-amino-9,10-dioxoanthracen-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-amino-9,10-diketo-2-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=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N

InChI

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