zinc dimethyl (2R,3R)-2,3-bis[2-[5-[(Z)-(4-ethyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-pyrrol-1-id-3-yl]ethanoyloxy]butanedioate

Systemtic Name: zinc dimethyl (2R,3R)-2,3-bis[2-[5-[(Z)-(4-ethyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-pyrrol-1-id-3-yl]ethanoyloxy]butanedioate Openeye Name: zinc dimethyl (2R,3R)-2,3-bis[[2-[5-[(Z)-(4-ethyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-pyrrol-1-id-3-yl]acetyl]oxy]butanedioate CAS Name: zinc (2R,3R)-2,3-bis[2-[5-[(Z)-(4-ethyl-3,5-dimethyl-2-pyrrolylidene)methyl]-2,4-dimethyl-3-pyrrol-1-idyl]-1-oxoethoxy]butanedioic acid dimethyl ester IUPAC Name: zinc dimethyl (2R,3R)-2,3-bis[[2-[5-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-2,4-dimethylpyrrol-1-id-3-yl]acetyl]oxy]butanedioate Traditional Name: zinc (2R,3R)-2,3-bis[[2-[5-[(Z)-(4-ethyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-pyrrol-1-id-3-yl]acetyl]oxy]succinic acid dimethyl ester Formula: C40H48N4O8Zn MolecularWeight: 778.24012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC2=C(C(=C([N-]2)C)CC(=O)OC(C(C(=O)OC)OC(=O)CC3=C([N-]C(=C3C)C=C4C(=C(C(=N4)C)CC)C)C)C(=O)OC)C)N=C1C)C.[Zn+2]

Isomeric SMILES

CCC1=C(/C(=C/C2=C(C(=C([N-]2)C)CC(=O)O[C@@H](C(=O)OC)[C@@H](OC(=O)CC3=C([N-]C(=C3C)/C=C/4\N=C(C(=C4C)CC)C)C)C(=O)OC)C)/N=C1C)C.[Zn+2]

InChI

InChI=1S/C40H48N4O8.Zn/c1-13-27-19(3)31(41-23(27)7)17-33-21(5)29(25(9)43-33)15-35(45)51-37(39(47)49-11)38(40(48)50-12)52-36(46)16-30-22(6)34(44-26(30)10)18-32-20(4)28(14-2)24(8)42-32;/h17-18,37-38H,13-16H2,1-12H3;/q-2;+2/t37-,38-;/m1./s1