bis[(E)-octadec-1-enyl] butanedioate; 2-methoxy-3,4,5,6-tetrakis(oxidanyl)hexanal

Systemtic Name: bis[(E)-octadec-1-enyl] butanedioate; 2-methoxy-3,4,5,6-tetrakis(oxidanyl)hexanal Openeye Name: bis[(E)-octadec-1-enyl] butanedioate; 3,4,5,6-tetrahydroxy-2-methoxy-hexanal CAS Name: butanedioic acid bis[(E)-octadec-1-enyl] ester; 3,4,5,6-tetrahydroxy-2-methoxyhexanal IUPAC Name: bis[(E)-octadec-1-enyl] butanedioate; 3,4,5,6-tetrahydroxy-2-methoxyhexanal Traditional Name: succinic acid bis[(E)-octadec-1-enyl] ester; 3,4,5,6-tetrahydroxy-2-methoxy-hexanal Formula: C47H88O10 MolecularWeight: 813.19562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=COC(=O)CCC(=O)OC=CCCCCCCCCCCCCCCCC.COC(C=O)C(C(C(CO)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/OC(=O)CCC(=O)O/C=C/CCCCCCCCCCCCCCCC.COC(C(O)C(O)C(O)CO)C=O

InChI

InChI=1S/C40H74O4.C7H14O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-43-39(41)35-36-40(42)44-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-13-5(3-9)7(12)6(11)4(10)2-8/h33-34,37-38H,3-32,35-36H2,1-2H3;3-8,10-12H,2H2,1H3/b37-33+,38-34+;