(9E,28E)-19-phenyl-19-[1,2,3-tris(oxidanyl)propyl]heptatriaconta-9,28-diene-18,20-dione

Systemtic Name: (9E,28E)-19-phenyl-19-[1,2,3-tris(oxidanyl)propyl]heptatriaconta-9,28-diene-18,20-dione Openeye Name: (9E,28E)-19-phenyl-19-(1,2,3-trihydroxypropyl)heptatriaconta-9,28-diene-18,20-dione CAS Name: (9E,28E)-19-phenyl-19-(1,2,3-trihydroxypropyl)heptatriaconta-9,28-diene-18,20-dione IUPAC Name: (9E,28E)-19-phenyl-19-(1,2,3-trihydroxypropyl)heptatriaconta-9,28-diene-18,20-dione Traditional Name: (9E,28E)-19-phenyl-19-(1,2,3-trihydroxypropyl)heptatriaconta-9,28-diene-18,20-dione Formula: C46H78O5 MolecularWeight: 711.10852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C1=CC=CC=C1)(C(C(CO)O)O)C(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(=O)CCCCCCC/C=C/CCCCCCCC)(C(O)C(O)CO)C1=CC=CC=C1

InChI

InChI=1S/C46H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-43(49)46(45(51)42(48)40-47,41-36-32-31-33-37-41)44(50)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,31-33,36-37,42,45,47-48,51H,3-16,21-30,34-35,38-40H2,1-2H3/b19-17+,20-18+