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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C(=CC=C1)OC2=CC=CC(=C2C(=O)O)C(=O)O)OC3=CC=CC(=C3C(=O)O)C(=O)O)C4=C(C(=CC=C4)OC5=CC=CC(=C5C(=O)O)C(=O)O)OC6=CC=CC(=C6C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C1=C(C(=CC=C1)OC2=CC=CC(=C2C(=O)O)C(=O)O)OC3=CC=CC(=C3C(=O)O)C(=O)O)C4=C(C(=CC=C4)OC5=CC=CC(=C5C(=O)O)C(=O)O)OC6=CC=CC(=C6C(=O)O)C(=O)O

InChI

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