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(2E)-2-[(E,4E)-9-[3-[2-[2-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propoxy]ethoxy]ethoxy]propylamino]-4-[(E)-3-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-1-ium-2-yl]prop-2-enylidene]-9-oxidanylidene-non-2-enylidene]-3,3-dimethyl-1-(2-sulfoethyl)indole-5-sulfonic acid

(2E)-2-[(E,4E)-9-[3-[2-[2-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propoxy]ethoxy]ethoxy]propylamino]-4-[(E)-3-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-1-ium-2-yl]prop-2-enylidene]-9-oxidanylidene-non-2-enylidene]-3,3-dimethyl-1-(2-sulfoethyl)indole-5-sulfonic acid

Systemtic Name:(2E)-2-[(E,4E)-9-[3-[2-[2-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propoxy]ethoxy]ethoxy]propylamino]-4-[(E)-3-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-1-ium-2-yl]prop-2-enylidene]-9-oxidanylidene-non-2-enylidene]-3,3-dimethyl-1-(2-sulfoethyl)indole-5-sulfonic acid
Openeye Name:(2E)-2-[(E,4E)-4-[(E)-3-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-1-ium-2-yl]prop-2-enylidene]-9-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-9-oxo-non-2-enylidene]-3,3-dimethyl-1-(2-sulfoethyl)indoline-5-sulfonic acid
CAS Name:(2E)-2-[(E,4E)-4-[(E)-3-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2-indol-1-iumyl]prop-2-enylidene]-9-[3-[2-[2-[3-(2,5-dioxo-1-pyrrolyl)propoxy]ethoxy]ethoxy]propylamino]-9-oxonon-2-enylidene]-3,3-dimethyl-1-(2-sulfoethyl)-5-indolesulfonic acid
IUPAC Name:(2E)-2-[(E,4E)-4-[(E)-3-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-1-ium-2-yl]prop-2-enylidene]-9-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-9-oxonon-2-enylidene]-3,3-dimethyl-1-(2-sulfoethyl)indole-5-sulfonic acid
Traditional Name:(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-1-ium-2-yl]-4-[5-keto-5-[3-[2-[2-(3-maleimidopropoxy)ethoxy]ethoxy]propylamino]pentyl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-sulfoethyl)indoline-5-sulfonic acid
Formula: C50H67N4O18S4+
MolecularWeight: 1140.34298
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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1C=CC=C(CCCCC(=O)NCCCOCCOCCOCCCN3C(=O)C=CC3=O)C=CC=C4C(C5=C(N4CCS(=O)(=O)O)C=CC(=C5)S(=O)(=O)O)(C)C)CCS(=O)(=O)O)C


Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1/C=C/C=C(\CCCCC(=O)NCCCOCCOCCOCCCN3C(=O)C=CC3=O)/C=C/C=C/4\C(C5=C(N4CCS(=O)(=O)O)C=CC(=C5)S(=O)(=O)O)(C)C)CCS(=O)(=O)O)C


InChI

InChI=1S/C50H66N4O18S4/c1-49(2)40-35-38(75(64,65)66)17-19-42(40)52(25-33-73(58,59)60)44(49)14-7-12-37(13-8-15-45-50(3,4)41-36-39(76(67,68)69)18-20-43(41)53(45)26-34-74(61,62)63)11-5-6-16-46(55)51-23-9-27-70-29-31-72-32-30-71-28-10-24-54-47(56)21-22-48(54)57/h7-8,12-15,17-22,35-36H,5-6,9-11,16,23-34H2,1-4H3,(H4-,51,55,58,59,60,61,62,63,64,65,66,67,68,69)/p+1


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