Try beta.chemspider
- Charge
- Double-bond stereo
- 1 of 1 defined stereocentres
[3,3'-{8-[(1S,4E,8E)-1-Hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-3,7,12,17-tetramethyl-13-vinyl-2,18-porphyrindiyl-kappa~2~N~21~,N~23~}dipropanoato(2-)]iron
CC(C)=CCC/C(/C)=C/CC/C(/C)=C/CC[C@H](O)C1C2C=C3C(C)=C(C=C)C4=CC5=NC(=CC6=C(CCC(O)=O)C(C)=C(C=C(N=2)C=1C)N6[Fe]N34)C(CCC(O)=O)=C5C |c:31,43,t:20,27|
InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-2/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;/t46-;/m0./s1
FISPASSVCDRERW-ARQJTVBPSA-L
CSID:61716062, http://www.chemspider.com/Chemical-Structure.61716062.html (accessed 09:53, Jun 13, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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