heptyl 4-methyl-2-[[5-(octadecoxymethyl)oxolan-3-yl]methoxy]benzenesulfonate

Systemtic Name: heptyl 4-methyl-2-[[5-(octadecoxymethyl)oxolan-3-yl]methoxy]benzenesulfonate Openeye Name: heptyl 4-methyl-2-[[5-(octadecoxymethyl)tetrahydrofuran-3-yl]methoxy]benzenesulfonate CAS Name: 4-methyl-2-[[5-(octadecoxymethyl)-3-oxolanyl]methoxy]benzenesulfonic acid heptyl ester IUPAC Name: heptyl 4-methyl-2-[[5-(octadecoxymethyl)oxolan-3-yl]methoxy]benzenesulfonate Traditional Name: 4-methyl-2-[[5-(stearyloxymethyl)tetrahydrofuran-3-yl]methoxy]benzenesulfonic acid heptyl ester Formula: C38H68O6S MolecularWeight: 653.00792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1CC(CO1)COC2=C(C=CC(=C2)C)S(=O)(=O)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1CC(CO1)COC2=C(C=CC(=C2)C)S(=O)(=O)OCCCCCCC

InChI

InChI=1S/C38H68O6S/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-23-27-41-33-36-30-35(31-42-36)32-43-37-29-34(3)25-26-38(37)45(39,40)44-28-24-21-9-7-5-2/h25-26,29,35-36H,4-24,27-28,30-33H2,1-3H3