5-[3-[2-[4-(1-oxidanylhexyl)phenyl]-3-oxidanylidene-pyrazolidin-1-yl]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[2-[4-(1-oxidanylhexyl)phenyl]-3-oxidanylidene-pyrazolidin-1-yl]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[2-[4-(1-hydroxyhexyl)phenyl]-3-oxo-pyrazolidin-1-yl]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2-[4-(1-hydroxyhexyl)phenyl]-3-oxo-1-pyrazolidinyl]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[2-[4-(1-hydroxyhexyl)phenyl]-3-oxopyrazolidin-1-yl]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[2-[4-(1-hydroxyhexyl)phenyl]-3-keto-pyrazolidin-1-yl]propyl]-2-thenoic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)N2C(=O)CCN2CCCC3=CC=C(S3)C(=O)O)O

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)N2C(=O)CCN2CCCC3=CC=C(S3)C(=O)O)O

InChI

InChI=1S/C23H30N2O4S/c1-2-3-4-7-20(26)17-8-10-18(11-9-17)25-22(27)14-16-24(25)15-5-6-19-12-13-21(30-19)23(28)29/h8-13,20,26H,2-7,14-16H2,1H3,(H,28,29)