5-[(2E)-5-chloranyl-2-[(2E)-2-[[3-[2-(methylsulfonylamino)-2-oxidanylidene-ethyl]-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]pentane-2-sulfonic acid

Systemtic Name: 5-[(2E)-5-chloranyl-2-[(2E)-2-[[3-[2-(methylsulfonylamino)-2-oxidanylidene-ethyl]-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]pentane-2-sulfonic acid Openeye Name: 5-[(2E)-5-chloro-2-[(2E)-2-[[3-[2-(methanesulfonamido)-2-oxo-ethyl]-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylene]butylidene]-1,3-benzoxazol-3-yl]pentane-2-sulfonic acid CAS Name: 5-[(2E)-5-chloro-2-[(2E)-2-[[3-[2-(methanesulfonamido)-2-oxoethyl]-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]-2-pentanesulfonic acid IUPAC Name: 5-[(2E)-5-chloro-2-[(2E)-2-[[3-[2-(methanesulfonamido)-2-oxoethyl]-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]pentane-2-sulfonic acid Traditional Name: 5-[(2E)-5-chloro-2-[(E)-2-ethyl-3-[3-[2-keto-2-(methanesulfonamido)ethyl]-5-phenyl-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoxazol-3-yl]pentane-2-sulfonic acid Formula: C33H35ClN3O8S2+ MolecularWeight: 701.2293

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CC(=O)NS(=O)(=O)C)C=C4N(C5=C(O4)C=CC(=C5)Cl)CCCC(C)S(=O)(=O)O

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CC(=O)NS(=O)(=O)C)/C=C/4\N(C5=C(O4)C=CC(=C5)Cl)CCCC(C)S(=O)(=O)O

InChI

InChI=1S/C33H34ClN3O8S2/c1-4-23(17-32-36(16-8-9-22(2)47(41,42)43)28-20-26(34)13-15-30(28)44-32)18-33-37(21-31(38)35-46(3,39)40)27-19-25(12-14-29(27)45-33)24-10-6-5-7-11-24/h5-7,10-15,17-20,22H,4,8-9,16,21H2,1-3H3,(H-,35,38,41,42,43)/p+1