2-[(E)-dodec-2-enyl]butanedioic acid; 4-hexadecoxy-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(E)-dodec-2-enyl]butanedioic acid; 4-hexadecoxy-4-oxidanylidene-butanoic acid Openeye Name: 2-[(E)-dodec-2-enyl]butanedioic acid; 4-hexadecoxy-4-oxo-butanoic acid CAS Name: 2-[(E)-dodec-2-enyl]butanedioic acid; 4-hexadecoxy-4-oxobutanoic acid IUPAC Name: 2-[(E)-dodec-2-enyl]butanedioic acid; 4-hexadecoxy-4-oxobutanoic acid Traditional Name: 4-cetyloxy-4-keto-butyric acid; 2-[(E)-dodec-2-enyl]succinic acid Formula: C36H66O8 MolecularWeight: 626.90444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)O.CCCCCCCCCC=CCC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)O.CCCCCCCCC/C=C/CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C20H38O4.C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h2-18H2,1H3,(H,21,22);10-11,14H,2-9,12-13H2,1H3,(H,17,18)(H,19,20)/b;11-10+