C3-indocyanine

Properties Image MNX_ID MNXM119995 reference chebi:52694 formula C27H33IN2 global charge 0 mol weight 512.479 InChIKey LGRNGKUSEZTBMB-UHFFFAOYSA-M InChI InChI=1S/C27H33N2.HI/c1-7-28-22-16-11-9-14-20(22)26(3,4)24(28)18-13-19-25-27(5,6)21-15-10-12-17-23(21)29(25)8-2;/h9-19H,7-8H2,1-6H3;1H/q+1;/p-1 SMILES CCN1C(=CC=CC2=[N+](CC)C3=C(C=CC=C3)C2(C)C)C(C)(C)C2=C1C=CC=C2.[I-] MNX internals InChI (mnx) InChI=1/C27H33N2.HI/c1-7-28-22-16-11-9-14-20(22)26(3,4)24(28)18-13-19-25-27(5,6)21-15-10-12-17-23(21)29(25)8-2;/h9-19H,7-8H2,1-6H3;1H/q+1; SMILES (mnx) [CH3:1][CH2:7][N+:28]1=[C:24]([CH:18]=[CH:13][CH:19]=[C:25]2[C:27]([CH3:5])([CH3:6])[C:21]3=[CH:15][CH:10]=[CH:12][CH:17]=[C:23]3[N:29]2[CH2:8][CH3:2])[C:26]([CH3:3])([CH3:4])[C:20]2=[CH:14][CH:9]=[CH:11][CH:16]=[C:22]21.[IH:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0