hexyl 2-[(2E)-2-[(E)-3-[1-(2-hexoxy-2-oxidanylidene-ethyl)-3,3-dimethyl-5-methylsulfonyl-indol-1-ium-2-yl]prop-2-enylidene]-3,3,5-trimethyl-indol-1-yl]ethanoate

Systemtic Name: hexyl 2-[(2E)-2-[(E)-3-[1-(2-hexoxy-2-oxidanylidene-ethyl)-3,3-dimethyl-5-methylsulfonyl-indol-1-ium-2-yl]prop-2-enylidene]-3,3,5-trimethyl-indol-1-yl]ethanoate Openeye Name: hexyl 2-[(2E)-2-[(E)-3-[1-(2-hexoxy-2-oxo-ethyl)-3,3-dimethyl-5-methylsulfonyl-indol-1-ium-2-yl]prop-2-enylidene]-3,3,5-trimethyl-indolin-1-yl]acetate CAS Name: 2-[(2E)-2-[(E)-3-[1-(2-hexoxy-2-oxoethyl)-3,3-dimethyl-5-methylsulfonyl-2-indol-1-iumyl]prop-2-enylidene]-3,3,5-trimethyl-1-indolyl]acetic acid hexyl ester IUPAC Name: hexyl 2-[(2E)-2-[(E)-3-[1-(2-hexoxy-2-oxoethyl)-3,3-dimethyl-5-methylsulfonylindol-1-ium-2-yl]prop-2-enylidene]-3,3,5-trimethylindol-1-yl]acetate Traditional Name: 2-[(2E)-2-[(E)-3-[1-(2-hexoxy-2-keto-ethyl)-5-mesyl-3,3-dimethyl-indol-1-ium-2-yl]prop-2-enylidene]-3,3,5-trimethyl-indolin-1-yl]acetic acid hexyl ester Formula: C41H57N2O6S+ MolecularWeight: 705.96608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CN1C2=C(C=C(C=C2)C)C(C1=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)C)CC(=O)OCCCCCC)(C)C

Isomeric SMILES

CCCCCCOC(=O)CN\1C2=C(C=C(C=C2)C)C(/C1=C\C=C\C3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)C)CC(=O)OCCCCCC)(C)C

InChI

InChI=1S/C41H57N2O6S/c1-9-11-13-15-24-48-38(44)28-42-34-22-20-30(3)26-32(34)40(4,5)36(42)18-17-19-37-41(6,7)33-27-31(50(8,46)47)21-23-35(33)43(37)29-39(45)49-25-16-14-12-10-2/h17-23,26-27H,9-16,24-25,28-29H2,1-8H3/q+1