[5-phenyl-2-[(E)-2-[(Z)-[5-phenyl-3-(sulfomethyl)-3H-1,3-benzoxazol-3-ium-2-ylidene]methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]methanesulfonate

Systemtic Name: [5-phenyl-2-[(E)-2-[(Z)-[5-phenyl-3-(sulfomethyl)-3H-1,3-benzoxazol-3-ium-2-ylidene]methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]methanesulfonate Openeye Name: [5-phenyl-2-[(E)-2-[(Z)-[5-phenyl-3-(sulfomethyl)-3H-1,3-benzoxazol-3-ium-2-ylidene]methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]methanesulfonate CAS Name: [5-phenyl-2-[(E)-2-[(Z)-[5-phenyl-3-(sulfomethyl)-3H-1,3-benzoxazol-3-ium-2-ylidene]methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]methanesulfonate IUPAC Name: [5-phenyl-2-[(E)-2-[(Z)-[5-phenyl-3-(sulfomethyl)-3H-1,3-benzoxazol-3-ium-2-ylidene]methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]methanesulfonate Traditional Name: [5-phenyl-2-[(E)-2-[(Z)-[5-phenyl-3-(sulfomethyl)-3H-1,3-benzoxazol-3-ium-2-ylidene]methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]methanesulfonate Formula: C33H29N2O8S2+ MolecularWeight: 645.72196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CS(=O)(=O)[O-])C=C4[NH+](C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CS(=O)(=O)O

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CS(=O)(=O)[O-])/C=C\4/[NH+](C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CS(=O)(=O)O

InChI

InChI=1S/C33H28N2O8S2/c1-2-23(17-32-34(21-44(36,37)38)28-19-26(13-15-30(28)42-32)24-9-5-3-6-10-24)18-33-35(22-45(39,40)41)29-20-27(14-16-31(29)43-33)25-11-7-4-8-12-25/h3-20H,2,21-22H2,1H3,(H-,36,37,38,39,40,41)/p+1