2-[bis(2-chloroethyl)amino-cyclohex-3-en-1-yl-methyl]-5-(4-hydroxyphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[bis(2-chloroethyl)amino-cyclohex-3-en-1-yl-methyl]-5-(4-hydroxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-[bis(2-chloroethyl)amino-cyclohex-3-en-1-yl-methyl]-5-(4-hydroxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[bis(2-chloroethyl)amino-(1-cyclohex-3-enyl)methyl]-5-(4-hydroxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[bis(2-chloroethyl)amino-cyclohex-3-en-1-ylmethyl]-5-(4-hydroxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[bis(2-chloroethyl)amino-cyclohex-3-en-1-yl-methyl]-5-(4-hydroxyphenyl)cyclohexane-1,3-quinone Formula: C23H29Cl2NO3 MolecularWeight: 438.38726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(C2C(=O)CC(CC2=O)C3=CC=C(C=C3)O)N(CCCl)CCCl

Isomeric SMILES

C1CC(CC=C1)C(C2C(=O)CC(CC2=O)C3=CC=C(C=C3)O)N(CCCl)CCCl

InChI

InChI=1S/C23H29Cl2NO3/c24-10-12-26(13-11-25)23(17-4-2-1-3-5-17)22-20(28)14-18(15-21(22)29)16-6-8-19(27)9-7-16/h1-2,6-9,17-18,22-23,27H,3-5,10-15H2