(2E)-5,6-dimethyl-2-[(2Z)-2-[[5-phenyl-3-(2-sulfoethyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]spiro[1,3-benzothiazol-3-ium-3,1'-azolidin-1-ium]-2'-sulfonic acid

Systemtic Name: (2E)-5,6-dimethyl-2-[(2Z)-2-[[5-phenyl-3-(2-sulfoethyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]spiro[1,3-benzothiazol-3-ium-3,1'-azolidin-1-ium]-2'-sulfonic acid Openeye Name: (2E)-5,6-dimethyl-2-[(2Z)-2-[[5-phenyl-3-(2-sulfoethyl)-1,3-benzoxazol-3-ium-2-yl]methylene]butylidene]spiro[1,3-benzothiazol-3-ium-3,1'-azolidin-1-ium]-2'-sulfonic acid CAS Name: (2E)-5,6-dimethyl-2-[(2Z)-2-[[5-phenyl-3-(2-sulfoethyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-2'-spiro[1,3-benzothiazol-3-ium-3,1'-azolidin-1-ium]sulfonic acid IUPAC Name: (2E)-5,6-dimethyl-2-[(2Z)-2-[[5-phenyl-3-(2-sulfoethyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]spiro[1,3-benzothiazol-3-ium-3,1'-azolidin-1-ium]-2'-sulfonic acid Traditional Name: (2E)-2-[(Z)-2-ethyl-3-[5-phenyl-3-(2-sulfoethyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-5,6-dimethyl-spiro[1,3-benzothiazol-3-ium-3,1'-azolidin-1-ium]-2'-sulfonic acid Formula: C33H36N2O7S3+2 MolecularWeight: 668.84314

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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=C4[N+]5(CCCC5S(=O)(=O)O)C6=C(S4)C=C(C(=C6)C)C

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+]5(CCCC5S(=O)(=O)O)C6=C(S4)C=C(C(=C6)C)C

InChI

InChI=1S/C33H34N2O7S3/c1-4-24(20-32-35(15-8-11-33(35)45(39,40)41)28-17-22(2)23(3)18-30(28)43-32)19-31-34(14-16-44(36,37)38)27-21-26(12-13-29(27)42-31)25-9-6-5-7-10-25/h5-7,9-10,12-13,17-21,33H,4,8,11,14-16H2,1-3H3/p+2/b24-19-,32-20+