5,5-dimethyl-3,4-dihydro-2H-1-benzoxepine-7-carboxylic acid

Systemtic Name: 5,5-dimethyl-3,4-dihydro-2H-1-benzoxepine-7-carboxylic acid Openeye Name: 5,5-dimethyl-3,4-dihydro-2H-1-benzoxepine-7-carboxylic acid CAS Name: 5,5-dimethyl-3,4-dihydro-2H-1-benzoxepin-7-carboxylic acid IUPAC Name: 5,5-dimethyl-3,4-dihydro-2H-1-benzoxepine-7-carboxylic acid Traditional Name: 5,5-dimethyl-3,4-dihydro-2H-1-benzoxepin-7-carboxylic acid Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCOC2=C1C=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1(CCCOC2=C1C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C13H16O3/c1-13(2)6-3-7-16-11-5-4-9(12(14)15)8-10(11)13/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)