(9E,13E)-13-methylnonadeca-9,13-dien-17-yne-2,5-dione; propane-1,2-diol

Systemtic Name: (9E,13E)-13-methylnonadeca-9,13-dien-17-yne-2,5-dione; propane-1,2-diol Openeye Name: (9E,13E)-13-methylnonadeca-9,13-dien-17-yne-2,5-dione; propane-1,2-diol CAS Name: (9E,13E)-13-methylnonadeca-9,13-dien-17-yne-2,5-dione; propane-1,2-diol IUPAC Name: (9E,13E)-13-methylnonadeca-9,13-dien-17-yne-2,5-dione; propane-1,2-diol Traditional Name: (9E,13E)-13-methylnonadeca-9,13-dien-17-yne-2,5-dione; propane-1,2-diol Formula: C26H46O6 MolecularWeight: 454.63984

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCC=C(C)CCC=CCCCC(=O)CCC(=O)C.CC(CO)O.CC(CO)O

Isomeric SMILES

CC#CCC/C=C(\C)/CC/C=C/CCCC(=O)CCC(=O)C.CC(CO)O.CC(CO)O

InChI

InChI=1S/C20H30O2.2C3H8O2/c1-4-5-6-10-13-18(2)14-11-8-7-9-12-15-20(22)17-16-19(3)21;2*1-3(5)2-4/h7-8,13H,6,9-12,14-17H2,1-3H3;2*3-5H,2H2,1H3/b8-7+,18-13+;;