[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-acetamidobenzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C18H12F3NO6S MolecularWeight: 427.35119

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C18H12F3NO6S/c1-10(23)22-11-2-5-13(6-3-11)29(25,26)28-12-4-7-14-15(18(19,20)21)9-17(24)27-16(14)8-12/h2-9H,1H3,(H,22,23)