[(E)-1-(oxan-2-yloxy)-4-phenoxy-but-1-enyl] 2-(cyclopentylmethyl)but-3-yne-1-sulfonate

Systemtic Name: [(E)-1-(oxan-2-yloxy)-4-phenoxy-but-1-enyl] 2-(cyclopentylmethyl)but-3-yne-1-sulfonate Openeye Name: [(E)-4-phenoxy-1-tetrahydropyran-2-yloxy-but-1-enyl] 2-(cyclopentylmethyl)but-3-yne-1-sulfonate CAS Name: 2-(cyclopentylmethyl)-3-butyne-1-sulfonic acid [(E)-1-(2-oxanyloxy)-4-phenoxybut-1-enyl] ester IUPAC Name: [(E)-1-(oxan-2-yloxy)-4-phenoxybut-1-enyl] 2-(cyclopentylmethyl)but-3-yne-1-sulfonate Traditional Name: 2-(cyclopentylmethyl)but-3-yne-1-sulfonic acid [(E)-4-phenoxy-1-tetrahydropyran-2-yloxy-but-1-enyl] ester Formula: C25H34O6S MolecularWeight: 462.59886

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC1CCCC1)CS(=O)(=O)OC(=CCCOC2=CC=CC=C2)OC3CCCCO3

Isomeric SMILES

C#CC(CC1CCCC1)CS(=O)(=O)O/C(=C/CCOC2=CC=CC=C2)/OC3CCCCO3

InChI

InChI=1S/C25H34O6S/c1-2-21(19-22-11-6-7-12-22)20-32(26,27)31-25(30-24-15-8-9-17-29-24)16-10-18-28-23-13-4-3-5-14-23/h1,3-5,13-14,16,21-22,24H,6-12,15,17-20H2/b25-16+