2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; (Z)-octadec-9-enoic acid

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; (Z)-octadec-9-enoic acid Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; (Z)-octadec-9-enoic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; (Z)-9-octadecenoic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; (Z)-octadec-9-enoic acid Traditional Name: 2,2-dimethylolpropane-1,3-diol; enanthic acid; oleic acid Formula: C30H60O8 MolecularWeight: 548.7926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCC(=O)O.C(C(CO)(CO)CO)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCC(=O)O.C(C(CO)(CO)CO)O

InChI

InChI=1S/C18H34O2.C7H14O2.C5H12O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7(8)9;6-1-5(2-7,3-8)4-9/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-6H2,1H3,(H,8,9);6-9H,1-4H2/b10-9-;;