6-[(1R,6S)-6-methoxycyclohexa-2,4-dien-1-yl]-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-[(1R,6S)-6-methoxycyclohexa-2,4-dien-1-yl]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-[(1R,6S)-6-methoxycyclohexa-2,4-dien-1-yl]-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-[(1R,6S)-6-methoxy-1-cyclohexa-2,4-dienyl]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-[(1R,6S)-6-methoxycyclohexa-2,4-dien-1-yl]-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-[(1R,6S)-6-methoxycyclohexa-2,4-dien-1-yl]-piperonylic acid Formula: C15H14O5 MolecularWeight: 274.26866

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=CC=CC1C2=CC3=C(C=C2C(=O)O)OCO3

Isomeric SMILES

CO[C@H]1C=CC=C[C@@H]1C2=CC3=C(C=C2C(=O)O)OCO3

InChI

InChI=1S/C15H14O5/c1-18-12-5-3-2-4-9(12)10-6-13-14(20-8-19-13)7-11(10)15(16)17/h2-7,9,12H,8H2,1H3,(H,16,17)/t9-,12+/m1/s1