9-ethoxy-9-phenyl-xanthene; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 9-ethoxy-9-phenyl-xanthene; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 9-ethoxy-9-phenyl-xanthene CAS Name: 9-ethoxy-9-phenylxanthene; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 9-ethoxy-9-phenylxanthene; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 9-ethoxy-9-phenyl-xanthene Formula: C27H26O9 MolecularWeight: 494.48994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2=CC=CC=C2OC3=CC=CC=C31)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCOC1(C2=CC=CC=C2OC3=CC=CC=C31)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H18O2.C6H8O7/c1-2-22-21(16-10-4-3-5-11-16)17-12-6-8-14-19(17)23-20-15-9-7-13-18(20)21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-15H,2H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)