methyl 3-(hydroxymethyl)-3-oxidanyl-2H-1-benzoxepine-7-carboxylate

Systemtic Name: methyl 3-(hydroxymethyl)-3-oxidanyl-2H-1-benzoxepine-7-carboxylate Openeye Name: methyl 3-hydroxy-3-(hydroxymethyl)-2H-1-benzoxepine-7-carboxylate CAS Name: 3-hydroxy-3-(hydroxymethyl)-2H-1-benzoxepin-7-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-3-(hydroxymethyl)-2H-1-benzoxepine-7-carboxylate Traditional Name: 3-hydroxy-3-methylol-2H-1-benzoxepin-7-carboxylic acid methyl ester Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC(C=C2)(CO)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC(C=C2)(CO)O

InChI

InChI=1S/C13H14O5/c1-17-12(15)10-2-3-11-9(6-10)4-5-13(16,7-14)8-18-11/h2-6,14,16H,7-8H2,1H3