tert-butyl(triphenyl)boranuide; (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-oxidanyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazol-5-ol

Systemtic Name: tert-butyl(triphenyl)boranuide; (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-oxidanyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazol-5-ol Openeye Name: tert-butyl(triphenyl)boranuide; (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-hydroxy-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene]-1,3-benzothiazol-5-ol CAS Name: tert-butyl(triphenyl)boranuide; (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-hydroxy-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazol-5-ol IUPAC Name: tert-butyl(triphenyl)boranuide; (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-hydroxy-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazol-5-ol Traditional Name: tert-butyl(triphenyl)boranuide; (2Z)-3-ethyl-2-[(E)-2-ethyl-3-(3-ethyl-5-hydroxy-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazol-5-ol Formula: C45H49BN2O2S2 MolecularWeight: 724.82376

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C.CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)O)CC)C=C3N(C4=C(S3)C=CC(=C4)O)CC

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C.CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)O)CC)/C=C\3/N(C4=C(S3)C=CC(=C4)O)CC

InChI

InChI=1S/C23H24N2O2S2.C22H24B/c1-4-15(11-22-24(5-2)18-13-16(26)7-9-20(18)28-22)12-23-25(6-3)19-14-17(27)8-10-21(19)29-23;1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h7-14H,4-6H2,1-3H3,(H-,26,27);4-18H,1-3H3/q;-1/p+1