4-[(2E)-5-methyl-2-[(2E)-2-[[5-phenyl-3-(2-sulfoethyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[(2E)-5-methyl-2-[(2E)-2-[[5-phenyl-3-(2-sulfoethyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonic acid Openeye Name: 4-[(2E)-5-methyl-2-[(2E)-2-[[5-phenyl-3-(2-sulfoethyl)-1,3-benzoxazol-3-ium-2-yl]methylene]butylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonic acid CAS Name: 4-[(2E)-5-methyl-2-[(2E)-2-[[5-phenyl-3-(2-sulfoethyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]-1-butanesulfonic acid IUPAC Name: 4-[(2E)-5-methyl-2-[(2E)-2-[[5-phenyl-3-(2-sulfoethyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonic acid Traditional Name: 4-[(2E)-2-[(E)-2-ethyl-3-[5-phenyl-3-(2-sulfoethyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-5-methyl-1,3-benzoxazol-3-yl]butane-1-sulfonic acid Formula: C32H35N2O8S2+ MolecularWeight: 639.7589

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCS(=O)(=O)O)C=C4N(C5=C(O4)C=CC(=C5)C)CCCCS(=O)(=O)O

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCS(=O)(=O)O)/C=C/4\N(C5=C(O4)C=CC(=C5)C)CCCCS(=O)(=O)O

InChI

InChI=1S/C32H34N2O8S2/c1-3-24(20-31-33(15-7-8-17-43(35,36)37)27-19-23(2)11-13-29(27)41-31)21-32-34(16-18-44(38,39)40)28-22-26(12-14-30(28)42-32)25-9-5-4-6-10-25/h4-6,9-14,19-22H,3,7-8,15-18H2,1-2H3,(H-,35,36,37,38,39,40)/p+1