3-[3-[(5Z,8E)-6-ethyl-12,12-dimethyl-trideca-5,8-dien-10-ynoxy]phenyl]thiophene

Systemtic Name: 3-[3-[(5Z,8E)-6-ethyl-12,12-dimethyl-trideca-5,8-dien-10-ynoxy]phenyl]thiophene Openeye Name: 3-[3-[(5Z,8E)-6-ethyl-12,12-dimethyl-trideca-5,8-dien-10-ynoxy]phenyl]thiophene CAS Name: 3-[3-[(5Z,8E)-6-ethyl-12,12-dimethyltrideca-5,8-dien-10-ynoxy]phenyl]thiophene IUPAC Name: 3-[3-[(5Z,8E)-6-ethyl-12,12-dimethyltrideca-5,8-dien-10-ynoxy]phenyl]thiophene Traditional Name: 3-[3-[(5Z,8E)-6-ethyl-12,12-dimethyl-trideca-5,8-dien-10-ynoxy]phenyl]thiophene Formula: C27H34OS MolecularWeight: 406.62326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCCCCOC1=CC=CC(=C1)C2=CSC=C2)CC=CC#CC(C)(C)C

Isomeric SMILES

CC/C(=C/CCCCOC1=CC=CC(=C1)C2=CSC=C2)/C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C27H34OS/c1-5-23(13-8-6-10-18-27(2,3)4)14-9-7-11-19-28-26-16-12-15-24(21-26)25-17-20-29-22-25/h6,8,12,14-17,20-22H,5,7,9,11,13,19H2,1-4H3/b8-6+,23-14-