4-methoxycarbonyl-3-benzoxepine-2-carboxylic acid

Systemtic Name: 4-methoxycarbonyl-3-benzoxepine-2-carboxylic acid Openeye Name: 4-methoxycarbonyl-3-benzoxepine-2-carboxylic acid CAS Name: 4-methoxycarbonyl-3-benzoxepin-2-carboxylic acid IUPAC Name: 4-methoxycarbonyl-3-benzoxepine-2-carboxylic acid Traditional Name: 4-carbomethoxy-3-benzoxepin-2-carboxylic acid Formula: C13H10O5 MolecularWeight: 246.2155

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C=C(O1)C(=O)O

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C=C(O1)C(=O)O

InChI

InChI=1S/C13H10O5/c1-17-13(16)11-7-9-5-3-2-4-8(9)6-10(18-11)12(14)15/h2-7H,1H3,(H,14,15)