[2,2-dimethyl-3-[(4-sulfanylphenyl)methoxy]propyl] carbonochloridate

Systemtic Name: [2,2-dimethyl-3-[(4-sulfanylphenyl)methoxy]propyl] carbonochloridate Openeye Name: [2,2-dimethyl-3-[(4-sulfanylphenyl)methoxy]propyl] carbonochloridate CAS Name: carbonochloridic acid [3-[(4-mercaptophenyl)methoxy]-2,2-dimethylpropyl] ester IUPAC Name: [2,2-dimethyl-3-[(4-sulfanylphenyl)methoxy]propyl] carbonochloridate Traditional Name: chlorocarbonic acid [3-(4-mercaptobenzyl)oxy-2,2-dimethyl-propyl] ester Formula: C13H17ClO3S MolecularWeight: 288.79028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COCC1=CC=C(C=C1)S)COC(=O)Cl

Isomeric SMILES

CC(C)(COCC1=CC=C(C=C1)S)COC(=O)Cl

InChI

InChI=1S/C13H17ClO3S/c1-13(2,9-17-12(14)15)8-16-7-10-3-5-11(18)6-4-10/h3-6,18H,7-9H2,1-2H3