4-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)benzoic acid

Systemtic Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)benzoic acid Openeye Name: 4-(6,7-dimethoxyisochroman-1-yl)benzoic acid CAS Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)benzoic acid IUPAC Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)benzoic acid Traditional Name: 4-(6,7-dimethoxyisochroman-1-yl)benzoic acid Formula: C18H18O5 MolecularWeight: 314.33252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(OCCC2=C1)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(OCCC2=C1)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C18H18O5/c1-21-15-9-13-7-8-23-17(14(13)10-16(15)22-2)11-3-5-12(6-4-11)18(19)20/h3-6,9-10,17H,7-8H2,1-2H3,(H,19,20)