3-methylbut-2-enyl 4-chloranylbenzoate

Systemtic Name: 3-methylbut-2-enyl 4-chloranylbenzoate Openeye Name: 3-methylbut-2-enyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 3-methylbut-2-enyl ester IUPAC Name: 3-methylbut-2-enyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 3-methylbut-2-enyl ester Formula: C12H13ClO2 MolecularWeight: 224.68342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C1=CC=C(C=C1)Cl)C

Isomeric SMILES

CC(=CCOC(=O)C1=CC=C(C=C1)Cl)C

InChI

InChI=1S/C12H13ClO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-7H,8H2,1-2H3