[4-methoxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]-dimethyl-sulfanium perchlorate

Systemtic Name: [4-methoxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]-dimethyl-sulfanium perchlorate Openeye Name: [3-(benzyloxycarbonylamino)-4-methoxy-4-oxo-butyl]-dimethyl-sulfonium perchlorate CAS Name: [4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]-dimethylsulfonium perchlorate IUPAC Name: [4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]-dimethylsulfanium perchlorate Traditional Name: [3-(benzyloxycarbonylamino)-4-keto-4-methoxy-butyl]-dimethyl-sulfonium perchlorate Formula: C15H22ClNO8S MolecularWeight: 411.85508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC[S+](C)C)NC(=O)OCC1=CC=CC=C1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC(=O)C(CC[S+](C)C)NC(=O)OCC1=CC=CC=C1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H21NO4S.ClHO4/c1-19-14(17)13(9-10-21(2)3)16-15(18)20-11-12-7-5-4-6-8-12;2-1(3,4)5/h4-8,13H,9-11H2,1-3H3;(H,2,3,4,5)