2,3-bis(oxidanyl)butanedioic acid; [(Z)-octadec-9-enyl] 2-(4-methylpiperazin-1-yl)ethanoate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; [(Z)-octadec-9-enyl] 2-(4-methylpiperazin-1-yl)ethanoate Openeye Name: 2,3-dihydroxybutanedioic acid; [(Z)-octadec-9-enyl] 2-(4-methylpiperazin-1-yl)acetate CAS Name: 2,3-dihydroxybutanedioic acid; 2-(4-methyl-1-piperazinyl)acetic acid [(Z)-octadec-9-enyl] ester IUPAC Name: 2,3-dihydroxybutanedioic acid; [(Z)-octadec-9-enyl] 2-(4-methylpiperazin-1-yl)acetate Traditional Name: 2-(4-methylpiperazino)acetic acid [(Z)-octadec-9-enyl] ester; tartaric acid Formula: C29H54N2O8 MolecularWeight: 558.74766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CN1CCN(CC1)C.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOC(=O)CN1CCN(CC1)C.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C25H48N2O2.C4H6O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-29-25(28)24-27-21-19-26(2)20-22-27;5-1(3(7)8)2(6)4(9)10/h10-11H,3-9,12-24H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/b11-10-;