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

Systemtic Name: 3-heptylsulfanyl-3-octoxy-6-phenyl-cyclohexa-1,4-diene Openeye Name: 3-heptylsulfanyl-3-octoxy-6-phenyl-cyclohexa-1,4-diene CAS Name: 3-(heptylthio)-3-octoxy-6-phenylcyclohexa-1,4-diene IUPAC Name: 3-heptylsulfanyl-3-octoxy-6-phenylcyclohexa-1,4-diene Traditional Name: 3-(heptylthio)-3-octoxy-6-phenyl-cyclohexa-1,4-diene Formula: C27H42OS MolecularWeight: 414.68678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42OS/c1-3-5-7-9-10-15-23-28-27(29-24-16-11-8-6-4-2)21-19-26(20-22-27)25-17-13-12-14-18-25/h12-14,17-22,26H,3-11,15-16,23-24H2,1-2H3