3-[5,6-bis(4-hydroxyphenyl)-6-methyl-octyl]-1-(2-chloroethyl)-1-nitroso-urea

Systemtic Name: 3-[5,6-bis(4-hydroxyphenyl)-6-methyl-octyl]-1-(2-chloroethyl)-1-nitroso-urea Openeye Name: 3-[5,6-bis(4-hydroxyphenyl)-6-methyl-octyl]-1-(2-chloroethyl)-1-nitroso-urea CAS Name: 3-[5,6-bis(4-hydroxyphenyl)-6-methyloctyl]-1-(2-chloroethyl)-1-nitrosourea IUPAC Name: 3-[5,6-bis(4-hydroxyphenyl)-6-methyloctyl]-1-(2-chloroethyl)-1-nitrosourea Traditional Name: 3-[5,6-bis(4-hydroxyphenyl)-6-methyl-octyl]-1-(2-chloroethyl)-1-nitroso-urea Formula: C24H32ClN3O4 MolecularWeight: 461.98158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1=CC=C(C=C1)O)C(CCCCNC(=O)N(CCCl)N=O)C2=CC=C(C=C2)O

Isomeric SMILES

CCC(C)(C1=CC=C(C=C1)O)C(CCCCNC(=O)N(CCCl)N=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C24H32ClN3O4/c1-3-24(2,19-9-13-21(30)14-10-19)22(18-7-11-20(29)12-8-18)6-4-5-16-26-23(31)28(27-32)17-15-25/h7-14,22,29-30H,3-6,15-17H2,1-2H3,(H,26,31)