2-diethylaminoethyl 2-(1-benzothiophen-3-yl)-2-(3-methylphenyl)-2-oxidanyl-ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-diethylaminoethyl 2-(1-benzothiophen-3-yl)-2-(3-methylphenyl)-2-oxidanyl-ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-diethylaminoethyl 2-(benzothiophen-3-yl)-2-hydroxy-2-(m-tolyl)acetate CAS Name: 2-(1-benzothiophen-3-yl)-2-hydroxy-2-(3-methylphenyl)acetic acid 2-diethylaminoethyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-diethylaminoethyl 2-(1-benzothiophen-3-yl)-2-hydroxy-2-(3-methylphenyl)acetate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-(benzothiophen-3-yl)-2-hydroxy-2-(m-tolyl)acetic acid 2-diethylaminoethyl ester; citric acid Formula: C29H35NO10S MolecularWeight: 589.6539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(C1=CC=CC(=C1)C)(C2=CSC3=CC=CC=C32)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C(C1=CC=CC(=C1)C)(C2=CSC3=CC=CC=C32)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C23H27NO3S.C6H8O7/c1-4-24(5-2)13-14-27-22(25)23(26,18-10-8-9-17(3)15-18)20-16-28-21-12-7-6-11-19(20)21;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-12,15-16,26H,4-5,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)