4-[3-[2-[2,3-bis(3,4-dicarboxyphenoxy)phenyl]propan-2-yl]-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid

Systemtic Name: 4-[3-[2-[2,3-bis(3,4-dicarboxyphenoxy)phenyl]propan-2-yl]-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid Openeye Name: 4-[3-[1-[2,3-bis(3,4-dicarboxyphenoxy)phenyl]-1-methyl-ethyl]-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid CAS Name: 4-[3-[2-[2,3-bis(3,4-dicarboxyphenoxy)phenyl]propan-2-yl]-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid IUPAC Name: 4-[3-[2-[2,3-bis(3,4-dicarboxyphenoxy)phenyl]propan-2-yl]-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid Traditional Name: 4-[3-[1-[2,3-bis(3,4-dicarboxyphenoxy)phenyl]-1-methyl-ethyl]-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid Formula: C47H32O20 MolecularWeight: 916.74498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C(=CC=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)OC3=CC(=C(C=C3)C(=O)O)C(=O)O)C4=C(C(=CC=C4)OC5=CC(=C(C=C5)C(=O)O)C(=O)O)OC6=CC(=C(C=C6)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C1=C(C(=CC=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)OC3=CC(=C(C=C3)C(=O)O)C(=O)O)C4=C(C(=CC=C4)OC5=CC(=C(C=C5)C(=O)O)C(=O)O)OC6=CC(=C(C=C6)C(=O)O)C(=O)O

InChI

InChI=1S/C47H32O20/c1-47(2,33-5-3-7-35(64-21-9-13-25(39(48)49)29(17-21)43(56)57)37(33)66-23-11-15-27(41(52)53)31(19-23)45(60)61)34-6-4-8-36(65-22-10-14-26(40(50)51)30(18-22)44(58)59)38(34)67-24-12-16-28(42(54)55)32(20-24)46(62)63/h3-20H,1-2H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)