[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl 4-[bis(2-chloroethyl)amino]-3-[2-(2-methoxyethoxy)ethoxy]benzoate

Systemtic Name: [2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl 4-[bis(2-chloroethyl)amino]-3-[2-(2-methoxyethoxy)ethoxy]benzoate Openeye Name: (2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl 4-[bis(2-chloroethyl)amino]-3-[2-(2-methoxyethoxy)ethoxy]benzoate CAS Name: 4-[bis(2-chloroethyl)amino]-3-[2-(2-methoxyethoxy)ethoxy]benzoic acid (2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl ester IUPAC Name: (2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl 4-[bis(2-chloroethyl)amino]-3-[2-(2-methoxyethoxy)ethoxy]benzoate Traditional Name: 4-[bis(2-chloroethyl)amino]-3-[2-(2-methoxyethoxy)ethoxy]benzoic acid (3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)methyl ester Formula: C26H33Cl2NO7 MolecularWeight: 542.44872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)COC(=O)C2=CC(=C(C=C2)N(CCCl)CCCl)OCCOCCOC)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)COC(=O)C2=CC(=C(C=C2)N(CCCl)CCCl)OCCOCCOC)C

InChI

InChI=1S/C26H33Cl2NO7/c1-17-18(2)25(31)21(19(3)24(17)30)16-36-26(32)20-5-6-22(29(9-7-27)10-8-28)23(15-20)35-14-13-34-12-11-33-4/h5-6,15H,7-14,16H2,1-4H3