2-[[(2-carboxy-4-decyl-phenyl)-(4-carboxyphenyl)methoxy]-(4-carboxyphenyl)methyl]-5-decyl-benzoic acid

Systemtic Name: 2-[[(2-carboxy-4-decyl-phenyl)-(4-carboxyphenyl)methoxy]-(4-carboxyphenyl)methyl]-5-decyl-benzoic acid Openeye Name: 2-[[(2-carboxy-4-decyl-phenyl)-(4-carboxyphenyl)methoxy]-(4-carboxyphenyl)methyl]-5-decyl-benzoic acid CAS Name: 2-[[(2-carboxy-4-decylphenyl)-(4-carboxyphenyl)methoxy]-(4-carboxyphenyl)methyl]-5-decylbenzoic acid IUPAC Name: 2-[[(2-carboxy-4-decylphenyl)-(4-carboxyphenyl)methoxy]-(4-carboxyphenyl)methyl]-5-decylbenzoic acid Traditional Name: 2-[[(2-carboxy-4-decyl-phenyl)-(4-carboxyphenyl)methoxy]-(4-carboxyphenyl)methyl]-5-decyl-benzoic acid Formula: C50H62O9 MolecularWeight: 807.02188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)C(C2=CC=C(C=C2)C(=O)O)OC(C3=CC=C(C=C3)C(=O)O)C4=C(C=C(C=C4)CCCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)C(C2=CC=C(C=C2)C(=O)O)OC(C3=CC=C(C=C3)C(=O)O)C4=C(C=C(C=C4)CCCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C50H62O9/c1-3-5-7-9-11-13-15-17-19-35-21-31-41(43(33-35)49(55)56)45(37-23-27-39(28-24-37)47(51)52)59-46(38-25-29-40(30-26-38)48(53)54)42-32-22-36(34-44(42)50(57)58)20-18-16-14-12-10-8-6-4-2/h21-34,45-46H,3-20H2,1-2H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)