4-(heptoxymethyl)-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-(heptoxymethyl)-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(heptoxymethyl)thiazole-2-carboxylic acid CAS Name: 4-(heptoxymethyl)-2-thiazolecarboxylic acid IUPAC Name: 4-(heptoxymethyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 4-(heptoxymethyl)thiazole-2-carboxylic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1=CSC(=N1)C(=O)O

Isomeric SMILES

CCCCCCCOCC1=CSC(=N1)C(=O)O

InChI

InChI=1S/C12H19NO3S/c1-2-3-4-5-6-7-16-8-10-9-17-11(13-10)12(14)15/h9H,2-8H2,1H3,(H,14,15)