2-oxidanylpropane-1,2,3-tricarboxylic acid; [4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-yl-methanone

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; [4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-yl-methanone Openeye Name: citric acid; [4-[2-(1-piperidyl)ethoxy]phenyl]-(3-thienyl)methanone CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; [4-[2-(1-piperidinyl)ethoxy]phenyl]-(3-thiophenyl)methanone IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; [4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone Traditional Name: citric acid; [4-(2-piperidinoethoxy)phenyl]-(3-thienyl)methanone Formula: C24H29NO9S MolecularWeight: 507.55336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=CSC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=CSC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H21NO2S.C6H8O7/c20-18(16-8-13-22-14-16)15-4-6-17(7-5-15)21-12-11-19-9-2-1-3-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-8,13-14H,1-3,9-12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)