2-(5-bromanyl-3-methoxy-2-propoxy-phenyl)-5-(3,4,5-trimethoxyphenyl)hexanedioic acid

Systemtic Name: 2-(5-bromanyl-3-methoxy-2-propoxy-phenyl)-5-(3,4,5-trimethoxyphenyl)hexanedioic acid Openeye Name: 2-(5-bromo-3-methoxy-2-propoxy-phenyl)-5-(3,4,5-trimethoxyphenyl)hexanedioic acid CAS Name: 2-(5-bromo-3-methoxy-2-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)hexanedioic acid IUPAC Name: 2-(5-bromo-3-methoxy-2-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)hexanedioic acid Traditional Name: 2-(5-bromo-3-methoxy-2-propoxy-phenyl)-5-(3,4,5-trimethoxyphenyl)adipic acid Formula: C25H31BrO9 MolecularWeight: 555.41224

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C(CCC(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)O)C(=O)O)Br)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1C(CCC(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)O)C(=O)O)Br)OC

InChI

InChI=1S/C25H31BrO9/c1-6-9-35-22-18(12-15(26)13-21(22)33-4)17(25(29)30)8-7-16(24(27)28)14-10-19(31-2)23(34-5)20(11-14)32-3/h10-13,16-17H,6-9H2,1-5H3,(H,27,28)(H,29,30)