4-[4-[3-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,4-bis(oxidanylidene)cyclobutylidene]cyclohexa-2,5-dien-1-ylidene]-2-[(E)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxidanylidene-cyclobuten-1-olate

Systemtic Name: 4-[4-[3-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,4-bis(oxidanylidene)cyclobutylidene]cyclohexa-2,5-dien-1-ylidene]-2-[(E)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxidanylidene-cyclobuten-1-olate Openeye Name: 4-[4-[3-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylene]-2,4-dioxo-cyclobutylidene]cyclohexa-2,5-dien-1-ylidene]-2-[(E)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxo-cyclobuten-1-olate CAS Name: 4-[4-[3-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,4-dioxocyclobutylidene]-1-cyclohexa-2,5-dienylidene]-2-[(E)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxo-1-cyclobutenolate IUPAC Name: 4-[4-[3-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,4-dioxocyclobutylidene]cyclohexa-2,5-dien-1-ylidene]-2-[(E)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-olate Traditional Name: 4-[4-[3-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylene]-2,4-diketo-cyclobutylidene]cyclohexa-2,5-dien-1-ylidene]-2-[(E)-(3-butyl-1,3-benzothiazol-2-ylidene)methyl]-3-keto-cyclobuten-1-olate Formula: C38H32N2O4S2 MolecularWeight: 644.80168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2SC1=CC3=C(C(=C4C=CC(=C5C(=O)C(=CC6=[N+](C7=CC=CC=C7S6)CCCC)C5=O)C=C4)C3=O)[O-]

Isomeric SMILES

CCCCN\1C2=CC=CC=C2S/C1=C/C3=C(C(=C4C=CC(=C5C(=O)C(=CC6=[N+](C7=CC=CC=C7S6)CCCC)C5=O)C=C4)C3=O)[O-]

InChI

InChI=1S/C38H32N2O4S2/c1-3-5-19-39-27-11-7-9-13-29(27)45-31(39)21-25-35(41)33(36(25)42)23-15-17-24(18-16-23)34-37(43)26(38(34)44)22-32-40(20-6-4-2)28-12-8-10-14-30(28)46-32/h7-18,21-22H,3-6,19-20H2,1-2H3/b31-21+