[(E,2Z)-8,8-dimethyl-2-[5-(3-thiophen-3-ylphenoxy)pentylidene]non-4-en-6-ynyl] methanesulfonate

Systemtic Name: [(E,2Z)-8,8-dimethyl-2-[5-(3-thiophen-3-ylphenoxy)pentylidene]non-4-en-6-ynyl] methanesulfonate Openeye Name: [(E,2Z)-8,8-dimethyl-2-[5-[3-(3-thienyl)phenoxy]pentylidene]non-4-en-6-ynyl] methanesulfonate CAS Name: methanesulfonic acid [(E,2Z)-8,8-dimethyl-2-[5-[3-(3-thiophenyl)phenoxy]pentylidene]non-4-en-6-ynyl] ester IUPAC Name: [(E,2Z)-8,8-dimethyl-2-[5-(3-thiophen-3-ylphenoxy)pentylidene]non-4-en-6-ynyl] methanesulfonate Traditional Name: methanesulfonic acid [(E,2Z)-8,8-dimethyl-2-[5-[3-(3-thienyl)phenoxy]pentylidene]non-4-en-6-ynyl] ester Formula: C27H34O4S2 MolecularWeight: 486.68646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34O4S2/c1-27(2,3)17-9-5-7-12-23(21-31-33(4,28)29)13-8-6-10-18-30-26-15-11-14-24(20-26)25-16-19-32-22-25/h5,7,11,13-16,19-20,22H,6,8,10,12,18,21H2,1-4H3/b7-5+,23-13-