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2-[(3R,4S)-7,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]ethanoic acid

2-[(3R,4S)-7,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]ethanoic acid

Systemtic Name:2-[(3R,4S)-7,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]ethanoic acid
Openeye Name:2-[(3R,4S)-4-hydroxy-7,8-dimethoxy-isochroman-3-yl]acetic acid
CAS Name:2-[(3R,4S)-4-hydroxy-7,8-dimethoxy-3,4-dihydro-1H-2-benzopyran-3-yl]acetic acid
IUPAC Name:2-[(3R,4S)-4-hydroxy-7,8-dimethoxy-3,4-dihydro-1H-isochromen-3-yl]acetic acid
Traditional Name:2-[(3R,4S)-4-hydroxy-7,8-dimethoxy-isochroman-3-yl]acetic acid
Formula: C13H16O6
MolecularWeight: 268.26254
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(C(OC2)CC(=O)O)O)OC


Isomeric SMILES

COC1=C(C2=C(C=C1)[C@@H]([C@H](OC2)CC(=O)O)O)OC


InChI

InChI=1S/C13H16O6/c1-17-9-4-3-7-8(13(9)18-2)6-19-10(12(7)16)5-11(14)15/h3-4,10,12,16H,5-6H2,1-2H3,(H,14,15)/t10-,12+/m1/s1


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