(2E)-2-ethylidene-4-phenyl-1,3-dithiane; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: (2E)-2-ethylidene-4-phenyl-1,3-dithiane; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; (2E)-2-ethylidene-4-phenyl-1,3-dithiane CAS Name: (2E)-2-ethylidene-4-phenyl-1,3-dithiane; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: (2E)-2-ethylidene-4-phenyl-1,3-dithiane; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; (2E)-2-ethylidene-4-phenyl-1,3-dithiane Formula: C18H22O7S2 MolecularWeight: 414.49308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C1SCCC(S1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C/C=C/1\SCCC(S1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C12H14S2.C6H8O7/c1-2-12-13-9-8-11(14-12)10-6-4-3-5-7-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7,11H,8-9H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b12-2+;