(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-methoxy-2-oxidanyl-benzoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-methoxy-2-oxidanyl-benzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C18H17ClO6 MolecularWeight: 364.77698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=CC=CC(=C1O)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H17ClO6/c1-22-14-5-2-4-12(16(14)20)18(21)25-10-11-8-13(19)17-15(9-11)23-6-3-7-24-17/h2,4-5,8-9,20H,3,6-7,10H2,1H3