2-ethyl-2-(hydroxymethyl)propane-1,3-diol; [(2E,5E)-4-propylhepta-2,5-dien-4-yl] carbonate

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; [(2E,5E)-4-propylhepta-2,5-dien-4-yl] carbonate Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; [(E)-1-[(E)-prop-1-enyl]-1-propyl-but-2-enyl] carbonate CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; [(2E,5E)-4-propylhepta-2,5-dien-4-yl] carbonate IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; [(2E,5E)-4-propylhepta-2,5-dien-4-yl] carbonate Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; [(E)-1-[(E)-prop-1-enyl]-1-propyl-but-2-enyl] carbonate Formula: C17H31O6- MolecularWeight: 331.42444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=CC)(C=CC)OC(=O)[O-].CCC(CO)(CO)CO

Isomeric SMILES

CCCC(OC(=O)[O-])(/C=C/C)/C=C/C.CCC(CO)(CO)CO

InChI

InChI=1S/C11H18O3.C6H14O3/c1-4-7-11(8-5-2,9-6-3)14-10(12)13;1-2-6(3-7,4-8)5-9/h4-5,7-8H,6,9H2,1-3H3,(H,12,13);7-9H,2-5H2,1H3/p-1/b7-4+,8-5+;