(Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-7-sulfo-hept-2-enoic acid

Systemtic Name: (Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-7-sulfo-hept-2-enoic acid Openeye Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-sulfo-hept-2-enoic acid CAS Name: (Z)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-7-sulfo-2-heptenoic acid IUPAC Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-sulfohept-2-enoic acid Traditional Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-sulfo-hept-2-enoic acid Formula: C13H21NO6S MolecularWeight: 319.37394

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC(=CCCCCS(=O)(=O)O)C(=O)O)C

Isomeric SMILES

CC1(CC1C(=O)N/C(=C\CCCCS(=O)(=O)O)/C(=O)O)C

InChI

InChI=1S/C13H21NO6S/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)/b10-6-