(Z)-2-methyl-7-thiocyanato-hept-2-enoic acid

Systemtic Name: (Z)-2-methyl-7-thiocyanato-hept-2-enoic acid Openeye Name: (Z)-2-methyl-7-thiocyanato-hept-2-enoic acid CAS Name: (Z)-2-methyl-7-thiocyanato-2-heptenoic acid IUPAC Name: (Z)-2-methyl-7-thiocyanatohept-2-enoic acid Traditional Name: (Z)-2-methyl-7-thiocyanato-hept-2-enoic acid Formula: C9H13NO2S MolecularWeight: 199.27002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCCSC#N)C(=O)O

Isomeric SMILES

C/C(=C/CCCCSC#N)/C(=O)O

InChI

InChI=1S/C9H13NO2S/c1-8(9(11)12)5-3-2-4-6-13-7-10/h5H,2-4,6H2,1H3,(H,11,12)/b8-5-