calcium (10E,13E)-1-[(10E,13E)-2-oxidanylidenenonadeca-10,13-dienoxy]nonadeca-10,13-dien-2-one

Systemtic Name: calcium (10E,13E)-1-[(10E,13E)-2-oxidanylidenenonadeca-10,13-dienoxy]nonadeca-10,13-dien-2-one Openeye Name: calcium (10E,13E)-1-[(10E,13E)-2-oxononadeca-10,13-dienoxy]nonadeca-10,13-dien-2-one CAS Name: calcium (10E,13E)-1-[(10E,13E)-2-oxononadeca-10,13-dienoxy]-2-nonadeca-10,13-dienone IUPAC Name: calcium (10E,13E)-1-[(10E,13E)-2-oxononadeca-10,13-dienoxy]nonadeca-10,13-dien-2-one Traditional Name: calcium (10E,13E)-1-[(10E,13E)-2-ketononadeca-10,13-dienoxy]nonadeca-10,13-dien-2-one Formula: C76H132CaO6+2 MolecularWeight: 1181.93568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)COCC(=O)CCCCCCCC=CCC=CCCCCC.CCCCCC=CCC=CCCCCCCCC(=O)COCC(=O)CCCCCCCC=CCC=CCCCCC.[Ca+2]

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)COCC(=O)CCCCCCC/C=C/C/C=C/CCCCC.CCCCC/C=C/C/C=C/CCCCCCCC(=O)COCC(=O)CCCCCCC/C=C/C/C=C/CCCCC.[Ca+2]

InChI

InChI=1S/2C38H66O3.Ca/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)35-41-36-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h2*11-14,17-20H,3-10,15-16,21-36H2,1-2H3;/q;;+2/b2*13-11+,14-12+,19-17+,20-18+;