[(2E)-5-chloranyl-2-[(2E)-2-[[5-phenyl-3-(sulfomethyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]methanesulfonic acid

Systemtic Name: [(2E)-5-chloranyl-2-[(2E)-2-[[5-phenyl-3-(sulfomethyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]methanesulfonic acid Openeye Name: [(2E)-5-chloro-2-[(2E)-2-[[5-phenyl-3-(sulfomethyl)-1,3-benzoxazol-3-ium-2-yl]methylene]butylidene]-1,3-benzoxazol-3-yl]methanesulfonic acid CAS Name: [(2E)-5-chloro-2-[(2E)-2-[[5-phenyl-3-(sulfomethyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]methanesulfonic acid IUPAC Name: [(2E)-5-chloro-2-[(2E)-2-[[5-phenyl-3-(sulfomethyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]methanesulfonic acid Traditional Name: [(2E)-5-chloro-2-[(E)-2-ethyl-3-[5-phenyl-3-(sulfomethyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoxazol-3-yl]methanesulfonic acid Formula: C27H24ClN2O8S2+ MolecularWeight: 604.07106

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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=C4N(C5=C(O4)C=CC(=C5)Cl)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\N(C5=C(O4)C=CC(=C5)Cl)CS(=O)(=O)O

InChI

InChI=1S/C27H23ClN2O8S2/c1-2-18(13-27-30(17-40(34,35)36)23-15-21(28)9-11-25(23)38-27)12-26-29(16-39(31,32)33)22-14-20(8-10-24(22)37-26)19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3,(H-,31,32,33,34,35,36)/p+1