triethyl-[(2'E)-2-sulfo-2'-[(2Z)-2-[[1-(3-sulfopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]spiro[azetidin-1-ium-1,1'-benzo[e][1,3]benzothiazol-1-ium]-2-yl]azanium

Systemtic Name: triethyl-[(2'E)-2-sulfo-2'-[(2Z)-2-[[1-(3-sulfopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]spiro[azetidin-1-ium-1,1'-benzo[e][1,3]benzothiazol-1-ium]-2-yl]azanium Openeye Name: triethyl-[(2'E)-2-sulfo-2'-[(2Z)-2-[[1-(3-sulfopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylene]butylidene]spiro[azetidin-1-ium-1,1'-benzo[e][1,3]benzothiazol-1-ium]-2-yl]ammonium CAS Name: triethyl-[(2'E)-2-sulfo-2'-[(2Z)-2-[[1-(3-sulfopropyl)-2-benzo[e][1,3]benzoxazol-1-iumyl]methylidene]butylidene]-2-spiro[azetidin-1-ium-1,1'-benzo[e][1,3]benzothiazol-1-ium]yl]ammonium IUPAC Name: triethyl-[(2'E)-2-sulfo-2'-[(2Z)-2-[[1-(3-sulfopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]spiro[azetidin-1-ium-1,1'-benzo[e][1,3]benzothiazol-1-ium]-2-yl]azanium Traditional Name: triethyl-[(2'E)-2'-[(Z)-2-ethyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]prop-2-enylidene]-2-sulfo-spiro[azetidin-1-ium-1,1'-benzo[e][1,3]benzothiazol-1-ium]-2-yl]ammonium Formula: C39H46N3O7S3+3 MolecularWeight: 764.99344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC3=CC=CC=C32)CCCS(=O)(=O)O)C=C4[N+]5(CCC5([N+](CC)(CC)CC)S(=O)(=O)O)C6=C(S4)C=CC7=CC=CC=C76

Isomeric SMILES

CC/C(=C/C1=[N+](C2=C(O1)C=CC3=CC=CC=C32)CCCS(=O)(=O)O)/C=C/4\[N+]5(CCC5([N+](CC)(CC)CC)S(=O)(=O)O)C6=C(S4)C=CC7=CC=CC=C76

InChI

InChI=1S/C39H44N3O7S3/c1-5-28(26-35-40(23-13-25-51(43,44)45)37-31-16-11-9-14-29(31)18-20-33(37)49-35)27-36-42(38-32-17-12-10-15-30(32)19-21-34(38)50-36)24-22-39(42,52(46,47)48)41(6-2,7-3)8-4/h9-12,14-21,26-27H,5-8,13,22-25H2,1-4H3/q+1/p+2/b28-26-,36-27+