(8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-acetamidobenzenesulfonate

Systemtic Name: (8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-acetamidobenzenesulfonate Openeye Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (8-chloro-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C20H16ClNO6S MolecularWeight: 433.86214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C4=C(CCC4)C(=O)OC3=C2)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C4=C(CCC4)C(=O)OC3=C2)Cl

InChI

InChI=1S/C20H16ClNO6S/c1-11(23)22-12-5-7-13(8-6-12)29(25,26)28-19-10-18-16(9-17(19)21)14-3-2-4-15(14)20(24)27-18/h5-10H,2-4H2,1H3,(H,22,23)