2-dodecyloctadecanoate; (E)-2-[(E)-octadec-9-enyl]docos-13-enoic acid; 2-tridecyloctadecanoic acid

Systemtic Name: 2-dodecyloctadecanoate; (E)-2-[(E)-octadec-9-enyl]docos-13-enoic acid; 2-tridecyloctadecanoic acid Openeye Name: 2-dodecyloctadecanoate; (E)-2-[(E)-octadec-9-enyl]docos-13-enoic acid; 2-tridecyloctadecanoic acid CAS Name: 2-dodecyloctadecanoate; (E)-2-[(E)-octadec-9-enyl]-13-docosenoic acid; 2-tridecyloctadecanoic acid IUPAC Name: 2-dodecyloctadecanoate; (E)-2-[(E)-octadec-9-enyl]docos-13-enoic acid; 2-tridecyloctadecanoic acid Traditional Name: 2-laurylstearate; (E)-2-[(E)-octadec-9-enyl]docos-13-enoic acid; 2-tridecylstearic acid Formula: C101H197O6- MolecularWeight: 1507.64128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)[O-].CCCCCCCCC=CCCCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)[O-].CCCCCCCC/C=C/CCCCCCCCCCC(CCCCCCCC/C=C/CCCCCCCC)C(=O)O

InChI

InChI=1S/C40H76O2.C31H62O2.C30H60O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-39(40(41)42)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-30(31(32)33)28-26-24-22-20-18-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-29(30(31)32)27-25-23-21-19-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38H2,1-2H3,(H,41,42);30H,3-29H2,1-2H3,(H,32,33);29H,3-28H2,1-2H3,(H,31,32)/p-1/b19-17+,20-18+;;