(Z)-2-[(Z)-hexadec-5-enyl]-3-methyl-but-2-enedioic acid

Systemtic Name: (Z)-2-[(Z)-hexadec-5-enyl]-3-methyl-but-2-enedioic acid Openeye Name: (Z)-2-[(Z)-hexadec-5-enyl]-3-methyl-but-2-enedioic acid CAS Name: (Z)-2-[(Z)-hexadec-5-enyl]-3-methyl-2-butenedioic acid IUPAC Name: (Z)-2-[(Z)-hexadec-5-enyl]-3-methylbut-2-enedioic acid Traditional Name: (Z)-2-[(Z)-hexadec-5-enyl]-3-methyl-but-2-enedioic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CCCCCC(=C(C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCC/C=C\CCCC/C(=C(\C)/C(=O)O)/C(=O)O

InChI

InChI=1S/C21H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h12-13H,3-11,14-17H2,1-2H3,(H,22,23)(H,24,25)/b13-12-,19-18-