5-dodecyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-dodecyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid Openeye Name: 5-dodecyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid CAS Name: 5-dodecyl-2-[[octoxy(oxo)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-dodecyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 5-lauryl-2-(octoxycarbonylamino)-3-thenoic acid Formula: C26H45NO4S MolecularWeight: 467.7048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCCCCC)C(=O)O

InChI

InChI=1S/C26H45NO4S/c1-3-5-7-9-11-12-13-14-15-17-19-22-21-23(25(28)29)24(32-22)27-26(30)31-20-18-16-10-8-6-4-2/h21H,3-20H2,1-2H3,(H,27,30)(H,28,29)