Coproporphyrin I Containing Co(Iii) (Q27095210)

[3,3',3'',3'''-(3,8,13,18-Tetramethyl-22,24-dihydroporphyrin-2,7,12,17-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetrapropanoato(4-)]cobalt (English)

19 October 2016

chemical formula

C₃₆H₃₆CoN₄O₈

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC=1C2=CC3=C(C(=C4N3[Co]56N2C(=CC=7N5C(=C(C7C)CCC(=O)O)C=C8N6C(=C4)C(=C8C)CCC(=O)O)C1CCC(=O)O)C)CCC(=O)O

1 reference

[3,3',3'',3'''-(3,8,13,18-Tetramethyl-22,24-dihydroporphyrin-2,7,12,17-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetrapropanoato(4-)]cobalt (English)

InChI=1S/C36H36N4O8.Co/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);/q-4;+4/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-;

19 October 2016

isomeric SMILES

Cc1c(CCC(=O)O)c2[n-]c1/C=c1\[n-]/c(c(C)c1CCC(=O)O)=C\c1[n-]c(c(C)c1CCC(=O)O)/C=c1\[n-]/c(c(C)c1CCC(=O)O)=C\2.[Co+4]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

1 reference

[3,3',3'',3'''-(3,8,13,18-Tetramethyl-22,24-dihydroporphyrin-2,7,12,17-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetrapropanoato(4-)]cobalt (English)

YMJSUHOSFAHJRH-MXOXSBADSA-N

19 October 2016

InChIKey

1 reference

[3,3',3'',3'''-(3,8,13,18-Tetramethyl-22,24-dihydroporphyrin-2,7,12,17-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetrapropanoato(4-)]cobalt (English)

19 October 2016

1 reference

[3,3',3'',3'''-(3,8,13,18-Tetramethyl-22,24-dihydroporphyrin-2,7,12,17-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetrapropanoato(4-)]cobalt (English)

19 October 2016

1 reference

Coproporphyrin I Containing Co(Iii) (English)

matched by identifier from

19 October 2016

DB04423

1 reference

InChIKey

YMJSUHOSFAHJRH-MXOXSBADSA-N

0 references

0 references

1 reference

1PBZ (English)