(E)-6-(4-chlorophenyl)sulfanyl-1-(oxan-2-yloxy)icos-7-en-5-ol

Systemtic Name: (E)-6-(4-chlorophenyl)sulfanyl-1-(oxan-2-yloxy)icos-7-en-5-ol Openeye Name: (E)-6-(4-chlorophenyl)sulfanyl-1-tetrahydropyran-2-yloxy-icos-7-en-5-ol CAS Name: (E)-6-[(4-chlorophenyl)thio]-1-(2-oxanyloxy)-7-eicosen-5-ol IUPAC Name: (E)-6-(4-chlorophenyl)sulfanyl-1-(oxan-2-yloxy)icos-7-en-5-ol Traditional Name: (E)-6-[(4-chlorophenyl)thio]-1-tetrahydropyran-2-yloxy-eicos-7-en-5-ol Formula: C31H51ClO3S MolecularWeight: 539.25284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCCCOC1CCCCO1)O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CCCCOC1CCCCO1)O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C31H51ClO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-30(36-28-23-21-27(32)22-24-28)29(33)18-14-16-25-34-31-20-15-17-26-35-31/h13,19,21-24,29-31,33H,2-12,14-18,20,25-26H2,1H3/b19-13+