3,6-bis(4-butoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid

Systemtic Name: 3,6-bis(4-butoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid Openeye Name: 3,6-bis(4-butoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid CAS Name: 3,6-bis(4-butoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid IUPAC Name: 3,6-bis(4-butoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid Traditional Name: 3,6-bis(4-butoxyphenoxy)pyromellitic acid Formula: C30H30O12 MolecularWeight: 582.552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC2=C(C(=C(C(=C2C(=O)O)C(=O)O)OC3=CC=C(C=C3)OCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC2=C(C(=C(C(=C2C(=O)O)C(=O)O)OC3=CC=C(C=C3)OCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C30H30O12/c1-3-5-15-39-17-7-11-19(12-8-17)41-25-21(27(31)32)23(29(35)36)26(24(30(37)38)22(25)28(33)34)42-20-13-9-18(10-14-20)40-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H,31,32)(H,33,34)(H,35,36)(H,37,38)