3-octoxy-3-octylsulfanyl-6-phenyl-cyclohexa-1,4-diene

Systemtic Name: 3-octoxy-3-octylsulfanyl-6-phenyl-cyclohexa-1,4-diene Openeye Name: 3-octoxy-3-octylsulfanyl-6-phenyl-cyclohexa-1,4-diene CAS Name: 3-octoxy-3-(octylthio)-6-phenylcyclohexa-1,4-diene IUPAC Name: 3-octoxy-3-octylsulfanyl-6-phenylcyclohexa-1,4-diene Traditional Name: 3-octoxy-3-(octylthio)-6-phenyl-cyclohexa-1,4-diene Formula: C28H44OS MolecularWeight: 428.71336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)SCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)SCCCCCCCC

InChI

InChI=1S/C28H44OS/c1-3-5-7-9-11-16-24-29-28(30-25-17-12-10-8-6-4-2)22-20-27(21-23-28)26-18-14-13-15-19-26/h13-15,18-23,27H,3-12,16-17,24-25H2,1-2H3