2-[3-carboxy-2-(carboxymethyl)-5-[(E)-dodec-1-enyl]oxolan-2-yl]carbonyloxy-3-ethyl-butanedioic acid

Systemtic Name: 2-[3-carboxy-2-(carboxymethyl)-5-[(E)-dodec-1-enyl]oxolan-2-yl]carbonyloxy-3-ethyl-butanedioic acid Openeye Name: 2-[3-carboxy-2-(carboxymethyl)-5-[(E)-dodec-1-enyl]tetrahydrofuran-2-carbonyl]oxy-3-ethyl-butanedioic acid CAS Name: 2-[[3-carboxy-2-(carboxymethyl)-5-[(E)-dodec-1-enyl]-2-oxolanyl]-oxomethoxy]-3-ethylbutanedioic acid IUPAC Name: 2-[3-carboxy-2-(carboxymethyl)-5-[(E)-dodec-1-enyl]oxolane-2-carbonyl]oxy-3-ethylbutanedioic acid Traditional Name: 2-[3-carboxy-2-(carboxymethyl)-5-[(E)-dodec-1-enyl]tetrahydrofuran-2-carbonyl]oxy-3-ethyl-succinic acid Formula: C26H40O11 MolecularWeight: 528.5892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC1CC(C(O1)(CC(=O)O)C(=O)OC(C(CC)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCC/C=C/C1CC(C(O1)(CC(=O)O)C(=O)OC(C(CC)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C26H40O11/c1-3-5-6-7-8-9-10-11-12-13-14-17-15-19(23(31)32)26(37-17,16-20(27)28)25(35)36-21(24(33)34)18(4-2)22(29)30/h13-14,17-19,21H,3-12,15-16H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)/b14-13+