[(7R,8S,8aS)-7-methyl-8-oxidanyl-6-oxidanylidene-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 3-chloranyl-6-methoxy-2-methyl-4-oxidanyl-benzoate

Systemtic Name: [(7R,8S,8aS)-7-methyl-8-oxidanyl-6-oxidanylidene-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 3-chloranyl-6-methoxy-2-methyl-4-oxidanyl-benzoate Openeye Name: [(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 3-chloro-4-hydroxy-6-methoxy-2-methyl-benzoate CAS Name: 3-chloro-4-hydroxy-6-methoxy-2-methylbenzoic acid [(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-2-benzopyran-7-yl] ester IUPAC Name: [(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 3-chloro-4-hydroxy-6-methoxy-2-methylbenzoate Traditional Name: 3-chloro-4-hydroxy-6-methoxy-2-methyl-benzoic acid [(7R,8S,8aS)-8-hydroxy-6-keto-7-methyl-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] ester Formula: C22H25ClO7 MolecularWeight: 436.8827

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=CC(=O)C(C(C2CO1)O)(C)OC(=O)C3=C(C(=C(C=C3OC)O)Cl)C

Isomeric SMILES

CCCC1=CC2=CC(=O)[C@]([C@H]([C@@H]2CO1)O)(C)OC(=O)C3=C(C(=C(C=C3OC)O)Cl)C

InChI

InChI=1S/C22H25ClO7/c1-5-6-13-7-12-8-17(25)22(3,20(26)14(12)10-29-13)30-21(27)18-11(2)19(23)15(24)9-16(18)28-4/h7-9,14,20,24,26H,5-6,10H2,1-4H3/t14-,20+,22+/m1/s1