6-chloranyl-7-propan-2-ylsulfonyl-3,4-dihydroisochromen-1-one

Systemtic Name: 6-chloranyl-7-propan-2-ylsulfonyl-3,4-dihydroisochromen-1-one Openeye Name: 6-chloro-7-isopropylsulfonyl-isochroman-1-one CAS Name: 6-chloro-7-propan-2-ylsulfonyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 6-chloro-7-propan-2-ylsulfonyl-3,4-dihydroisochromen-1-one Traditional Name: 6-chloro-7-isopropylsulfonyl-isochroman-1-one Formula: C12H13ClO4S MolecularWeight: 288.74722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C2CCOC(=O)C2=C1)Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C2CCOC(=O)C2=C1)Cl

InChI

InChI=1S/C12H13ClO4S/c1-7(2)18(15,16)11-6-9-8(5-10(11)13)3-4-17-12(9)14/h5-7H,3-4H2,1-2H3