Try beta.chemspider
- Charge
- Double-bond stereo
- 1 of 1 defined stereocentres
[3,3'-{3-Formyl-8-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-7,12,17-trimethyl-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=O)=C(C=C(N=2)C=1C)N6[Fe]N34)C(CCC(O)=O)=C5C |c:31,44,t:20,27|
InChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+2/p-2/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;/t46-;/m0./s1
ZGGYGTCPXNDTRV-PRYGPKJJSA-L
CSID:61709376, http://www.chemspider.com/Chemical-Structure.61709376.html (accessed 07:15, May 16, 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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