benzene-1,3-dicarboxylic acid; 4-[2-(4-hydroxyphenyl)ethyl]phenol

Systemtic Name: benzene-1,3-dicarboxylic acid; 4-[2-(4-hydroxyphenyl)ethyl]phenol Openeye Name: 4-[2-(4-hydroxyphenyl)ethyl]phenol; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 4-[2-(4-hydroxyphenyl)ethyl]phenol IUPAC Name: benzene-1,3-dicarboxylic acid; 4-[2-(4-hydroxyphenyl)ethyl]phenol Traditional Name: 4-[2-(4-hydroxyphenyl)ethyl]phenol; isophthalic acid Formula: C22H20O6 MolecularWeight: 380.3906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1CCC2=CC=C(C=C2)O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1CCC2=CC=C(C=C2)O)O

InChI

InChI=1S/C14H14O2.C8H6O4/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;9-7(10)5-2-1-3-6(4-5)8(11)12/h3-10,15-16H,1-2H2;1-4H,(H,9,10)(H,11,12)