[(3aR,5R,7aS)-6-methyl-2-oxidanylidene-3a,4,5,7a-tetrahydro-3H-1-benzofuran-5-yl] 2-chloranylbenzoate

Systemtic Name: [(3aR,5R,7aS)-6-methyl-2-oxidanylidene-3a,4,5,7a-tetrahydro-3H-1-benzofuran-5-yl] 2-chloranylbenzoate Openeye Name: [(3aR,5R,7aS)-6-methyl-2-oxo-3a,4,5,7a-tetrahydro-3H-benzofuran-5-yl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [(3aR,5R,7aS)-6-methyl-2-oxo-3a,4,5,7a-tetrahydro-3H-benzofuran-5-yl] ester IUPAC Name: [(3aR,5R,7aS)-6-methyl-2-oxo-3a,4,5,7a-tetrahydro-3H-1-benzofuran-5-yl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [(3aR,5R,7aS)-2-keto-6-methyl-3a,4,5,7a-tetrahydro-3H-benzofuran-5-yl] ester Formula: C16H15ClO4 MolecularWeight: 306.7409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2C(CC1OC(=O)C3=CC=CC=C3Cl)CC(=O)O2

Isomeric SMILES

CC1=C[C@@H]2[C@H](C[C@H]1OC(=O)C3=CC=CC=C3Cl)CC(=O)O2

InChI

InChI=1S/C16H15ClO4/c1-9-6-14-10(8-15(18)20-14)7-13(9)21-16(19)11-4-2-3-5-12(11)17/h2-6,10,13-14H,7-8H2,1H3/t10-,13-,14-/m1/s1