(3-azanyl-2-oxidanylidene-chromen-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-azanyl-2-oxidanylidene-chromen-4-yl) 4-methylbenzenesulfonate Openeye Name: (3-amino-2-oxo-chromen-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-amino-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-amino-2-oxochromen-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-amino-2-keto-chromen-4-yl) ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC3=CC=CC=C32)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC3=CC=CC=C32)N

InChI

InChI=1S/C16H13NO5S/c1-10-6-8-11(9-7-10)23(19,20)22-15-12-4-2-3-5-13(12)21-16(18)14(15)17/h2-9H,17H2,1H3