2-[(E)-dodec-2-enyl]butanedioic acid; propane-1,3-diol

Systemtic Name: 2-[(E)-dodec-2-enyl]butanedioic acid; propane-1,3-diol Openeye Name: 2-[(E)-dodec-2-enyl]butanedioic acid; propane-1,3-diol CAS Name: 2-[(E)-dodec-2-enyl]butanedioic acid; propane-1,3-diol IUPAC Name: 2-[(E)-dodec-2-enyl]butanedioic acid; propane-1,3-diol Traditional Name: 2-[(E)-dodec-2-enyl]succinic acid; propane-1,3-diol Formula: C19H36O6 MolecularWeight: 360.48554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCC/C=C/CC(CC(=O)O)C(=O)O.C(CO)CO

InChI

InChI=1S/C16H28O4.C3H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;4-2-1-3-5/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)(H,19,20);4-5H,1-3H2/b11-10+;