(2R,3S)-2-hexadec-7-ynyl-3-methyl-butanedioic acid

Systemtic Name: (2R,3S)-2-hexadec-7-ynyl-3-methyl-butanedioic acid Openeye Name: (2R,3S)-2-hexadec-7-ynyl-3-methyl-butanedioic acid CAS Name: (2R,3S)-2-hexadec-7-ynyl-3-methylbutanedioic acid IUPAC Name: (2R,3S)-2-hexadec-7-ynyl-3-methylbutanedioic acid Traditional Name: (2R,3S)-2-hexadec-7-ynyl-3-methyl-succinic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CCCCCCCC(C(C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC#CCCCCCC[C@H]([C@H](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/h18-19H,3-9,12-17H2,1-2H3,(H,22,23)(H,24,25)/t18-,19+/m0/s1