[(1S)-2-oxidanylidenecyclohexyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [(1S)-2-oxocyclohexyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-propenoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)acrylic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H15ClO5 MolecularWeight: 322.7403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H15ClO5/c17-11-7-10(8-14-16(11)21-9-20-14)5-6-15(19)22-13-4-2-1-3-12(13)18/h5-8,13H,1-4,9H2/b6-5+/t13-/m0/s1