(7-bromanyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (7-bromanyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-methylbenzenesulfonate Openeye Name: (7-bromo-3-oxo-indan-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (7-bromo-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (7-bromo-3-oxo-1,2-dihydroinden-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-bromo-3-keto-indan-4-yl) ester Formula: C16H13BrO4S MolecularWeight: 381.24102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Br)CCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Br)CCC3=O

InChI

InChI=1S/C16H13BrO4S/c1-10-2-4-11(5-3-10)22(19,20)21-15-9-7-13(17)12-6-8-14(18)16(12)15/h2-5,7,9H,6,8H2,1H3