sodium (Z)-6-[(2,2-dimethylcyclopropyl)carbonylamino]-7-oxidanyl-7-oxidanylidene-hept-5-ene-1-sulfonate

Systemtic Name: sodium (Z)-6-[(2,2-dimethylcyclopropyl)carbonylamino]-7-oxidanyl-7-oxidanylidene-hept-5-ene-1-sulfonate Openeye Name: sodium (Z)-6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-oxo-hept-5-ene-1-sulfonate CAS Name: sodium (Z)-6-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-7-hydroxy-7-oxo-5-heptene-1-sulfonate IUPAC Name: sodium (Z)-6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-oxohept-5-ene-1-sulfonate Traditional Name: sodium (Z)-6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-keto-hept-5-ene-1-sulfonate Formula: C13H20NNaO6S MolecularWeight: 341.35577

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC(=CCCCCS(=O)(=O)[O-])C(=O)O)C.[Na+]

Isomeric SMILES

CC1(CC1C(=O)N/C(=C\CCCCS(=O)(=O)[O-])/C(=O)O)C.[Na+]

InChI

InChI=1S/C13H21NO6S.Na/c1-13(2)8-9(13)11(15)14-10(12(16)17)6-4-3-5-7-21(18,19)20;/h6,9H,3-5,7-8H2,1-2H3,(H,14,15)(H,16,17)(H,18,19,20);/q;+1/p-1/b10-6-;