(9E,28E)-19-[dimethylamino-bis(oxidanyl)methyl]-19-methyl-heptatriaconta-9,28-diene-18,20-dione

Systemtic Name: (9E,28E)-19-[dimethylamino-bis(oxidanyl)methyl]-19-methyl-heptatriaconta-9,28-diene-18,20-dione Openeye Name: (9E,28E)-19-[dimethylamino(dihydroxy)methyl]-19-methyl-heptatriaconta-9,28-diene-18,20-dione CAS Name: (9E,28E)-19-[dimethylamino(dihydroxy)methyl]-19-methylheptatriaconta-9,28-diene-18,20-dione IUPAC Name: (9E,28E)-19-[dimethylamino(dihydroxy)methyl]-19-methylheptatriaconta-9,28-diene-18,20-dione Traditional Name: (9E,28E)-19-[dimethylamino(dihydroxy)methyl]-19-methyl-heptatriaconta-9,28-diene-18,20-dione Formula: C41H77NO4 MolecularWeight: 648.05438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C)(C(=O)CCCCCCCC=CCCCCCCCC)C(N(C)C)(O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(O)(O)N(C)C)(C(=O)CCCCCCC/C=C/CCCCCCCC)C

InChI

InChI=1S/C41H77NO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(43)40(3,41(45,46)42(4)5)39(44)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,45-46H,6-19,24-37H2,1-5H3/b22-20+,23-21+