4-[3-[1-[2,3-bis(3,4-dicarboxyphenoxy)phenyl]ethyl]-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid

Systemtic Name: 4-[3-[1-[2,3-bis(3,4-dicarboxyphenoxy)phenyl]ethyl]-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid Openeye Name: 4-[3-[1-[2,3-bis(3,4-dicarboxyphenoxy)phenyl]ethyl]-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid CAS Name: 4-[3-[1-[2,3-bis(3,4-dicarboxyphenoxy)phenyl]ethyl]-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid IUPAC Name: 4-[3-[1-[2,3-bis(3,4-dicarboxyphenoxy)phenyl]ethyl]-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid Traditional Name: 4-[3-[1-[2,3-bis(3,4-dicarboxyphenoxy)phenyl]ethyl]-2-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid Formula: C46H30O20 MolecularWeight: 902.7184

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Descriptors Computed from Structure

Canonical SMILES:

CC(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(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/C46H30O20/c1-20(25-4-2-6-35(63-21-8-12-27(39(47)48)31(16-21)43(55)56)37(25)65-23-10-14-29(41(51)52)33(18-23)45(59)60)26-5-3-7-36(64-22-9-13-28(40(49)50)32(17-22)44(57)58)38(26)66-24-11-15-30(42(53)54)34(19-24)46(61)62/h2-20H,1H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)