5,5-bis(butylsulfanyl)-6-phenyl-cyclohexa-1,3-diene

Systemtic Name: 5,5-bis(butylsulfanyl)-6-phenyl-cyclohexa-1,3-diene Openeye Name: 5,5-bis(butylsulfanyl)-6-phenyl-cyclohexa-1,3-diene CAS Name: 5,5-bis(butylthio)-6-phenylcyclohexa-1,3-diene IUPAC Name: 5,5-bis(butylsulfanyl)-6-phenylcyclohexa-1,3-diene Traditional Name: 5,5-bis(butylthio)-6-phenyl-cyclohexa-1,3-diene Formula: C20H28S2 MolecularWeight: 332.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1(C=CC=CC1C2=CC=CC=C2)SCCCC

Isomeric SMILES

CCCCSC1(C=CC=CC1C2=CC=CC=C2)SCCCC

InChI

InChI=1S/C20H28S2/c1-3-5-16-21-20(22-17-6-4-2)15-11-10-14-19(20)18-12-8-7-9-13-18/h7-15,19H,3-6,16-17H2,1-2H3