7-chloranyl-3,3,8-trimethyl-2,4-dihydro-1-benzoxepin-5-one

Systemtic Name: 7-chloranyl-3,3,8-trimethyl-2,4-dihydro-1-benzoxepin-5-one Openeye Name: 7-chloro-3,3,8-trimethyl-2,4-dihydro-1-benzoxepin-5-one CAS Name: 7-chloro-3,3,8-trimethyl-2,4-dihydro-1-benzoxepin-5-one IUPAC Name: 7-chloro-3,3,8-trimethyl-2,4-dihydro-1-benzoxepin-5-one Traditional Name: 7-chloro-3,3,8-trimethyl-2,4-dihydro-1-benzoxepin-5-one Formula: C13H15ClO2 MolecularWeight: 238.71

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=O)CC(COC2=C1)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=O)CC(COC2=C1)(C)C)Cl

InChI

InChI=1S/C13H15ClO2/c1-8-4-12-9(5-10(8)14)11(15)6-13(2,3)7-16-12/h4-5H,6-7H2,1-3H3