[4-[3-methoxy-2-methoxycarbonyl-3-oxidanylidene-2-(phenylmethoxymethyl)propyl]phenyl]sulfamic acid

Systemtic Name: [4-[3-methoxy-2-methoxycarbonyl-3-oxidanylidene-2-(phenylmethoxymethyl)propyl]phenyl]sulfamic acid Openeye Name: [4-[2-(benzyloxymethyl)-3-methoxy-2-methoxycarbonyl-3-oxo-propyl]phenyl]sulfamic acid CAS Name: [4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-(phenylmethoxymethyl)propyl]phenyl]sulfamic acid IUPAC Name: [4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-(phenylmethoxymethyl)propyl]phenyl]sulfamic acid Traditional Name: [4-[2-(benzoxymethyl)-2-carbomethoxy-3-keto-3-methoxy-propyl]phenyl]sulfamic acid Formula: C20H23NO8S MolecularWeight: 437.46352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)NS(=O)(=O)O)(COCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)NS(=O)(=O)O)(COCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H23NO8S/c1-27-18(22)20(19(23)28-2,14-29-13-16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)21-30(24,25)26/h3-11,21H,12-14H2,1-2H3,(H,24,25,26)