3-[(E)-heptadec-7-enyl]-2,2-dipropyl-butanedioic acid

Systemtic Name: 3-[(E)-heptadec-7-enyl]-2,2-dipropyl-butanedioic acid Openeye Name: 3-[(E)-heptadec-7-enyl]-2,2-dipropyl-butanedioic acid CAS Name: 3-[(E)-heptadec-7-enyl]-2,2-dipropylbutanedioic acid IUPAC Name: 3-[(E)-heptadec-7-enyl]-2,2-dipropylbutanedioic acid Traditional Name: 3-[(E)-heptadec-7-enyl]-2,2-dipropyl-succinic acid Formula: C27H50O4 MolecularWeight: 438.6835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CCCCCCCC(C(=O)O)C(CCC)(CCC)C(=O)O

Isomeric SMILES

CCCCCCCCC/C=C/CCCCCCC(C(=O)O)C(CCC)(CCC)C(=O)O

InChI

InChI=1S/C27H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(25(28)29)27(22-5-2,23-6-3)26(30)31/h14-15,24H,4-13,16-23H2,1-3H3,(H,28,29)(H,30,31)/b15-14+