1-(1,3-benzodioxol-5-yl)cycloheptane-1-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)cycloheptane-1-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)cycloheptanecarboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-1-cycloheptanecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)cycloheptane-1-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)cycloheptanecarboxylic acid Formula: C15H18O4 MolecularWeight: 262.30102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C15H18O4/c16-14(17)15(7-3-1-2-4-8-15)11-5-6-12-13(9-11)19-10-18-12/h5-6,9H,1-4,7-8,10H2,(H,16,17)