(E)-2-[5-[2,2-bis(hydroxymethyl)butyl]-3,3,7,7-tetrakis(hydroxymethyl)nonan-5-yl]-5,5-bis(hydroxymethyl)hept-2-enoic acid

Systemtic Name: (E)-2-[5-[2,2-bis(hydroxymethyl)butyl]-3,3,7,7-tetrakis(hydroxymethyl)nonan-5-yl]-5,5-bis(hydroxymethyl)hept-2-enoic acid Openeye Name: (E)-2-[1,1-bis[2,2-bis(hydroxymethyl)butyl]-3,3-bis(hydroxymethyl)pentyl]-5,5-bis(hydroxymethyl)hept-2-enoic acid CAS Name: (E)-2-[5-[2,2-bis(hydroxymethyl)butyl]-3,3,7,7-tetrakis(hydroxymethyl)nonan-5-yl]-5,5-bis(hydroxymethyl)-2-heptenoic acid IUPAC Name: (E)-2-[5-[2,2-bis(hydroxymethyl)butyl]-3,3,7,7-tetrakis(hydroxymethyl)nonan-5-yl]-5,5-bis(hydroxymethyl)hept-2-enoic acid Traditional Name: (E)-2-[1,1-bis(2,2-dimethylolbutyl)-3,3-dimethylol-pentyl]-5,5-dimethylol-hept-2-enoic acid Formula: C28H54O10 MolecularWeight: 550.72236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=C(C(=O)O)C(CC(CC)(CO)CO)(CC(CC)(CO)CO)CC(CC)(CO)CO)(CO)CO

Isomeric SMILES

CCC(C/C=C(/C(=O)O)\C(CC(CC)(CO)CO)(CC(CC)(CO)CO)CC(CC)(CO)CO)(CO)CO

InChI

InChI=1S/C28H54O10/c1-5-24(14-29,15-30)10-9-22(23(37)38)28(11-25(6-2,16-31)17-32,12-26(7-3,18-33)19-34)13-27(8-4,20-35)21-36/h9,29-36H,5-8,10-21H2,1-4H3,(H,37,38)/b22-9-