[2-(phenylmethoxymethyl)-4-sulfanyl-butyl] carbonochloridate

Systemtic Name: [2-(phenylmethoxymethyl)-4-sulfanyl-butyl] carbonochloridate Openeye Name: [2-(benzyloxymethyl)-4-sulfanyl-butyl] carbonochloridate CAS Name: carbonochloridic acid [4-mercapto-2-(phenylmethoxymethyl)butyl] ester IUPAC Name: [2-(phenylmethoxymethyl)-4-sulfanylbutyl] carbonochloridate Traditional Name: chlorocarbonic acid [2-(benzoxymethyl)-4-mercapto-butyl] ester Formula: C13H17ClO3S MolecularWeight: 288.79028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CCS)COC(=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COCC(CCS)COC(=O)Cl

InChI

InChI=1S/C13H17ClO3S/c14-13(15)17-10-12(6-7-18)9-16-8-11-4-2-1-3-5-11/h1-5,12,18H,6-10H2