(6,7-dimethoxy-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl) 3-chloranylbenzoate

Systemtic Name: (6,7-dimethoxy-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl) 3-chloranylbenzoate Openeye Name: (3-hydroxy-6,7-dimethoxy-2,2-dimethyl-chroman-4-yl) 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid (3-hydroxy-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (3-hydroxy-6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl) 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid (3-hydroxy-6,7-dimethoxy-2,2-dimethyl-chroman-4-yl) ester Formula: C20H21ClO6 MolecularWeight: 392.83014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC(=C(C=C2O1)OC)OC)OC(=O)C3=CC(=CC=C3)Cl)O)C

Isomeric SMILES

CC1(C(C(C2=CC(=C(C=C2O1)OC)OC)OC(=O)C3=CC(=CC=C3)Cl)O)C

InChI

InChI=1S/C20H21ClO6/c1-20(2)18(22)17(26-19(23)11-6-5-7-12(21)8-11)13-9-15(24-3)16(25-4)10-14(13)27-20/h5-10,17-18,22H,1-4H3