17-[3-[2,2-bis(2-chloroethyl)hydrazinyl]-1-oxidanyl-2-oxidanylidene-4-phenyl-butyl]-17,18-bis(oxidanyl)tetratriacontane-16,19-dione

Systemtic Name: 17-[3-[2,2-bis(2-chloroethyl)hydrazinyl]-1-oxidanyl-2-oxidanylidene-4-phenyl-butyl]-17,18-bis(oxidanyl)tetratriacontane-16,19-dione Openeye Name: 17-[3-[2,2-bis(2-chloroethyl)hydrazino]-1-hydroxy-2-oxo-4-phenyl-butyl]-17,18-dihydroxy-tetratriacontane-16,19-dione CAS Name: 17-[3-[2,2-bis(2-chloroethyl)hydrazinyl]-1-hydroxy-2-oxo-4-phenylbutyl]-17,18-dihydroxytetratriacontane-16,19-dione IUPAC Name: 17-[3-[2,2-bis(2-chloroethyl)hydrazinyl]-1-hydroxy-2-oxo-4-phenylbutyl]-17,18-dihydroxytetratriacontane-16,19-dione Traditional Name: 17-[3-[N',N'-bis(2-chloroethyl)hydrazino]-1-hydroxy-2-keto-4-phenyl-butyl]-17,18-dihydroxy-tetratriacontane-16,19-dione Formula: C48H84Cl2N2O6 MolecularWeight: 856.09636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)C(CC1=CC=CC=C1)NN(CCCl)CCCl)O)(C(=O)CCCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)C(CC1=CC=CC=C1)NN(CCCl)CCCl)O)(C(=O)CCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C48H84Cl2N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-43(53)46(56)48(58,44(54)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)47(57)45(55)42(40-41-32-28-27-29-33-41)51-52(38-36-49)39-37-50/h27-29,32-33,42,46-47,51,56-58H,3-26,30-31,34-40H2,1-2H3