(6E)-6-[(2Z)-2-(3-hexadecyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[(2Z)-2-(3-hexadecyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[(2Z)-2-(3-hexadecyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[(2Z)-2-(3-hexadecyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[(2Z)-2-(3-hexadecyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[(2Z)-2-(3-cetyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C31H42N2O3S MolecularWeight: 522.74178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2SC1=CC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN\1C2=CC=CC=C2S/C1=C\C=C\3/C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C31H42N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-32-28-18-15-16-19-30(28)37-31(32)23-20-26-25-27(33(35)36)21-22-29(26)34/h15-16,18-23,25H,2-14,17,24H2,1H3/b26-20+,31-23-