S-[(2,4,6-trimethoxyphenyl)methyl] 3,5-bis(prop-2-ynoxy)benzenecarbothioate

Systemtic Name: S-[(2,4,6-trimethoxyphenyl)methyl] 3,5-bis(prop-2-ynoxy)benzenecarbothioate Openeye Name: S-[(2,4,6-trimethoxyphenyl)methyl] 3,5-bis(prop-2-ynoxy)benzenecarbothioate CAS Name: 3,5-bis(prop-2-ynoxy)benzenecarbothioic acid S-[(2,4,6-trimethoxyphenyl)methyl] ester IUPAC Name: S-[(2,4,6-trimethoxyphenyl)methyl] 3,5-bis(prop-2-ynoxy)benzenecarbothioate Traditional Name: 3,5-dipropargyloxythiobenzoic acid S-(2,4,6-trimethoxybenzyl) ester Formula: C23H22O6S MolecularWeight: 426.48218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)CSC(=O)C2=CC(=CC(=C2)OCC#C)OCC#C)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)CSC(=O)C2=CC(=CC(=C2)OCC#C)OCC#C)OC

InChI

InChI=1S/C23H22O6S/c1-6-8-28-18-10-16(11-19(12-18)29-9-7-2)23(24)30-15-20-21(26-4)13-17(25-3)14-22(20)27-5/h1-2,10-14H,8-9,15H2,3-5H3