3-[2-[(Z)-2-[(E)-[2-sulfo-2-(triethylazaniumyl)spiro[azetidin-1-ium-1,1'-benzo[e][1,3]benzothiazol-1-ium]-2'-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(Z)-2-[(E)-[2-sulfo-2-(triethylazaniumyl)spiro[azetidin-1-ium-1,1'-benzo[e][1,3]benzothiazol-1-ium]-2'-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-[(Z)-2-[(E)-[2-sulfo-2-(triethylammonio)spiro[azetidin-1-ium-1,1'-benzo[e][1,3]benzothiazol-1-ium]-2'-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-[(Z)-2-[(E)-[2-sulfo-2-(triethylammonio)-2'-spiro[azetidin-1-ium-1,1'-benzo[e][1,3]benzothiazol-1-ium]ylidene]methyl]but-1-enyl]-1-benzo[e][1,3]benzoxazol-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-[(Z)-2-[(E)-[2-sulfo-2-(triethylazaniumyl)spiro[azetidin-1-ium-1,1'-benzo[e][1,3]benzothiazol-1-ium]-2'-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[(Z)-2-[(E)-[2-sulfo-2-(triethylammonio)spiro[azetidin-1-ium-1,1'-benzo[e][1,3]benzothiazol-1-ium]-2'-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate Formula: C39H45N3O7S3+2 MolecularWeight: 763.9855

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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+1/b28-26-,36-27+