4,4-bis(hydroxymethyl)-7-methyl-2,3-dihydro-1-benzoxepin-5-one

Systemtic Name: 4,4-bis(hydroxymethyl)-7-methyl-2,3-dihydro-1-benzoxepin-5-one Openeye Name: 4,4-bis(hydroxymethyl)-7-methyl-2,3-dihydro-1-benzoxepin-5-one CAS Name: 4,4-bis(hydroxymethyl)-7-methyl-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: 4,4-bis(hydroxymethyl)-7-methyl-2,3-dihydro-1-benzoxepin-5-one Traditional Name: 7-methyl-4,4-dimethylol-2,3-dihydro-1-benzoxepin-5-one Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCCC(C2=O)(CO)CO

Isomeric SMILES

CC1=CC2=C(C=C1)OCCC(C2=O)(CO)CO

InChI

InChI=1S/C13H16O4/c1-9-2-3-11-10(6-9)12(16)13(7-14,8-15)4-5-17-11/h2-3,6,14-15H,4-5,7-8H2,1H3