methyl 1-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate

Systemtic Name: methyl 1-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Openeye Name: methyl 1-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate CAS Name: 1-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid methyl ester IUPAC Name: methyl 1-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Traditional Name: 1-mesyl-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCC1)C(=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(CCC1)C(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C14H16O4S/c1-18-14(15)11-6-3-7-12-10(9-11)5-4-8-13(12)19(2,16)17/h4-5,8-9H,3,6-7H2,1-2H3