sodium (1S,4R)-4-(phenylmethoxycarbonylamino)cyclopent-2-ene-1-sulfinate

Systemtic Name: sodium (1S,4R)-4-(phenylmethoxycarbonylamino)cyclopent-2-ene-1-sulfinate Openeye Name: sodium (1S,4R)-4-(benzyloxycarbonylamino)cyclopent-2-ene-1-sulfinate CAS Name: sodium (1S,4R)-4-(phenylmethoxycarbonylamino)-1-cyclopent-2-enesulfinate IUPAC Name: sodium (1S,4R)-4-(phenylmethoxycarbonylamino)cyclopent-2-ene-1-sulfinate Traditional Name: sodium (1S,4R)-4-(benzyloxycarbonylamino)cyclopent-2-ene-1-sulfinate Formula: C13H14NNaO4S MolecularWeight: 303.30933

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1S(=O)[O-])NC(=O)OCC2=CC=CC=C2.[Na+]

Isomeric SMILES

C1[C@H](C=C[C@H]1S(=O)[O-])NC(=O)OCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C13H15NO4S.Na/c15-13(18-9-10-4-2-1-3-5-10)14-11-6-7-12(8-11)19(16)17;/h1-7,11-12H,8-9H2,(H,14,15)(H,16,17);/q;+1/p-1/t11-,12+;/m0./s1