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

Systemtic Name: (6E)-6-[(2Z)-2-(3-hexadecyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[(2Z)-2-(3-hexadecyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[(2Z)-2-(3-hexadecyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-methoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[(2Z)-2-(3-hexadecyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-methoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[(2Z)-2-(3-cetyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C32H44N2O4S MolecularWeight: 552.76776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2SC1=CC=C3C=C(C=C(C3=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN\1C2=CC=CC=C2S/C1=C\C=C\3/C=C(C=C(C3=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C32H44N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-33-28-19-16-17-20-30(28)39-31(33)22-21-26-24-27(34(36)37)25-29(38-2)32(26)35/h16-17,19-22,24-25H,3-15,18,23H2,1-2H3/b26-21+,31-22-