ethane-1,2-diol; [(E)-octadec-9-enoyl] (E)-octadec-9-enoate; sulfate

Systemtic Name: ethane-1,2-diol; [(E)-octadec-9-enoyl] (E)-octadec-9-enoate; sulfate Openeye Name: ethylene glycol; [(E)-octadec-9-enoyl] (E)-octadec-9-enoate; sulfate CAS Name: ethane-1,2-diol; (E)-9-octadecenoic acid [(E)-1-oxooctadec-9-enyl] ester; sulfate IUPAC Name: ethane-1,2-diol; [(E)-octadec-9-enoyl] (E)-octadec-9-enoate; sulfate Traditional Name: ethylene glycol; (E)-octadec-9-enoic acid [(E)-octadec-9-enoyl] ester; sulfate Formula: C38H72O9S-2 MolecularWeight: 705.03788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)CCCCCCCC=CCCCCCCCC.C(CO)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)CCCCCCC/C=C/CCCCCCCC.C(O)CO.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C36H66O3.C2H6O2.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;3-1-2-4;1-5(2,3)4/h17-20H,3-16,21-34H2,1-2H3;3-4H,1-2H2;(H2,1,2,3,4)/p-2/b19-17+,20-18+;;