4-[(3-hexyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(3-hexyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxidanyl-cyclobut-2-en-1-one

Systemtic Name: 4-[(3-hexyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(3-hexyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxidanyl-cyclobut-2-en-1-one Openeye Name: 4-[(3-hexyl-1,3-benzothiazol-3-ium-2-yl)methylene]-2-[(3-hexyl-1,3-benzothiazol-2-ylidene)methyl]-3-hydroxy-cyclobut-2-en-1-one CAS Name: 4-[(3-hexyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(3-hexyl-1,3-benzothiazol-2-ylidene)methyl]-3-hydroxy-1-cyclobut-2-enone IUPAC Name: 4-[(3-hexyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(3-hexyl-1,3-benzothiazol-2-ylidene)methyl]-3-hydroxycyclobut-2-en-1-one Traditional Name: 4-[(3-hexyl-1,3-benzothiazol-3-ium-2-yl)methylene]-2-[(3-hexyl-1,3-benzothiazol-2-ylidene)methyl]-3-hydroxy-cyclobut-2-en-1-one Formula: C32H37N2O2S2+ MolecularWeight: 545.77838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2SC1=CC3=C(C(=CC4=[N+](C5=CC=CC=C5S4)CCCCCC)C3=O)O

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2SC1=CC3=C(C(=CC4=[N+](C5=CC=CC=C5S4)CCCCCC)C3=O)O

InChI

InChI=1S/C32H36N2O2S2/c1-3-5-7-13-19-33-25-15-9-11-17-27(25)37-29(33)21-23-31(35)24(32(23)36)22-30-34(20-14-8-6-4-2)26-16-10-12-18-28(26)38-30/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3/p+1