(E)-18-phenyl-17-[2,4,6-tris(oxidanyl)phenyl]carbonyl-octadec-17-enoic acid

Systemtic Name: (E)-18-phenyl-17-[2,4,6-tris(oxidanyl)phenyl]carbonyl-octadec-17-enoic acid Openeye Name: (E)-18-phenyl-17-(2,4,6-trihydroxybenzoyl)octadec-17-enoic acid CAS Name: (E)-17-[oxo-(2,4,6-trihydroxyphenyl)methyl]-18-phenyl-17-octadecenoic acid IUPAC Name: (E)-18-phenyl-17-(2,4,6-trihydroxybenzoyl)octadec-17-enoic acid Traditional Name: (E)-18-phenyl-17-(2,4,6-trihydroxybenzoyl)octadec-17-enoic acid Formula: C31H42O6 MolecularWeight: 510.66158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(CCCCCCCCCCCCCCCC(=O)O)C(=O)C2=C(C=C(C=C2O)O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C(\CCCCCCCCCCCCCCCC(=O)O)/C(=O)C2=C(C=C(C=C2O)O)O

InChI

InChI=1S/C31H42O6/c32-26-22-27(33)30(28(34)23-26)31(37)25(21-24-17-13-12-14-18-24)19-15-10-8-6-4-2-1-3-5-7-9-11-16-20-29(35)36/h12-14,17-18,21-23,32-34H,1-11,15-16,19-20H2,(H,35,36)/b25-21+