(2E)-1-(6-diazanyl-6-oxidanylidene-hexyl)-2-[(E)-3-(3,3-dimethyl-1-propyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indole-5-sulfonate

Systemtic Name: (2E)-1-(6-diazanyl-6-oxidanylidene-hexyl)-2-[(E)-3-(3,3-dimethyl-1-propyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indole-5-sulfonate Openeye Name: (2E)-2-[(E)-3-(3,3-dimethyl-1-propyl-indol-1-ium-2-yl)prop-2-enylidene]-1-(6-hydrazino-6-oxo-hexyl)-3,3-dimethyl-indoline-5-sulfonate CAS Name: (2E)-2-[(E)-3-(3,3-dimethyl-1-propyl-2-indol-1-iumyl)prop-2-enylidene]-1-(6-hydrazinyl-6-oxohexyl)-3,3-dimethyl-5-indolesulfonate IUPAC Name: (2E)-2-[(E)-3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-(6-hydrazinyl-6-oxohexyl)-3,3-dimethylindole-5-sulfonate Traditional Name: (2E)-2-[(E)-3-(3,3-dimethyl-1-propyl-indol-1-ium-2-yl)prop-2-enylidene]-1-(6-hydrazino-6-keto-hexyl)-3,3-dimethyl-indoline-5-sulfonate Formula: C32H42N4O4S MolecularWeight: 578.76528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C=CC=C3C(C4=C(N3CCCCCC(=O)NN)C=CC(=C4)S(=O)(=O)[O-])(C)C

Isomeric SMILES

CCC[N+]1=C(C(C2=CC=CC=C21)(C)C)/C=C/C=C/3\C(C4=C(N3CCCCCC(=O)NN)C=CC(=C4)S(=O)(=O)[O-])(C)C

InChI

InChI=1S/C32H42N4O4S/c1-6-20-35-26-14-10-9-13-24(26)31(2,3)28(35)15-12-16-29-32(4,5)25-22-23(41(38,39)40)18-19-27(25)36(29)21-11-7-8-17-30(37)34-33/h9-10,12-16,18-19,22H,6-8,11,17,20-21,33H2,1-5H3,(H-,34,37,38,39,40)