1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 4-methylbenzenesulfonate Openeye Name: [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl ester IUPAC Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] ester Formula: C46H82O5S MolecularWeight: 747.20528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(COCCCCCCCCC=CCCCCCCCC)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(OS(=O)(=O)C1=CC=C(C=C1)C)COCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H82O5S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-49-42-45(51-52(47,48)46-38-36-44(3)37-39-46)43-50-41-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,36-39,45H,4-17,22-35,40-43H2,1-3H3/b20-18+,21-19+