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

Systemtic Name: 3-nonylsulfanyl-3-octoxy-6-phenyl-cyclohexa-1,4-diene Openeye Name: 3-nonylsulfanyl-3-octoxy-6-phenyl-cyclohexa-1,4-diene CAS Name: 3-(nonylthio)-3-octoxy-6-phenylcyclohexa-1,4-diene IUPAC Name: 3-nonylsulfanyl-3-octoxy-6-phenylcyclohexa-1,4-diene Traditional Name: 3-(nonylthio)-3-octoxy-6-phenyl-cyclohexa-1,4-diene Formula: C29H46OS MolecularWeight: 442.73994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1(C=CC(C=C1)C2=CC=CC=C2)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCSC1(C=CC(C=C1)C2=CC=CC=C2)OCCCCCCCC

InChI

InChI=1S/C29H46OS/c1-3-5-7-9-11-13-18-26-31-29(30-25-17-12-10-8-6-4-2)23-21-28(22-24-29)27-19-15-14-16-20-27/h14-16,19-24,28H,3-13,17-18,25-26H2,1-2H3