1-[1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]propyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

Systemtic Name: 1-[1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]propyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: 1-(1,4-dihydroxy-9,10-dioxo-2-anthryl)propyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid 1-(1,4-dihydroxy-9,10-dioxo-2-anthracenyl)propyl ester IUPAC Name: 1-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)propyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid 1-(1,4-dihydroxy-9,10-diketo-2-anthryl)propyl ester Formula: C31H31Cl2NO6 MolecularWeight: 584.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O)OC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl

Isomeric SMILES

CCC(C1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O)OC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl

InChI

InChI=1S/C31H31Cl2NO6/c1-2-25(40-26(36)9-5-6-19-10-12-20(13-11-19)34(16-14-32)17-15-33)23-18-24(35)27-28(31(23)39)30(38)22-8-4-3-7-21(22)29(27)37/h3-4,7-8,10-13,18,25,35,39H,2,5-6,9,14-17H2,1H3