7-[3-(hydroxymethyl)-2-methyl-oxiran-2-yl]-3-methyl-hepta-3,4-dien-6-yne-1,2-diol

Systemtic Name: 7-[3-(hydroxymethyl)-2-methyl-oxiran-2-yl]-3-methyl-hepta-3,4-dien-6-yne-1,2-diol Openeye Name: 7-[3-(hydroxymethyl)-2-methyl-oxiran-2-yl]-3-methyl-hepta-3,4-dien-6-yne-1,2-diol CAS Name: 7-[3-(hydroxymethyl)-2-methyl-2-oxiranyl]-3-methylhepta-3,4-dien-6-yne-1,2-diol IUPAC Name: 7-[3-(hydroxymethyl)-2-methyloxiran-2-yl]-3-methylhepta-3,4-dien-6-yne-1,2-diol Traditional Name: 3-methyl-7-(2-methyl-3-methylol-oxiran-2-yl)hepta-3,4-dien-6-yne-1,2-diol Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C=CC#CC1(C(O1)CO)C)C(CO)O

Isomeric SMILES

CC(=C=CC#CC1(C(O1)CO)C)C(CO)O

InChI

InChI=1S/C12H16O4/c1-9(10(15)7-13)5-3-4-6-12(2)11(8-14)16-12/h3,10-11,13-15H,7-8H2,1-2H3