[(Z)-1-(4-phenylsulfanylphenyl)octylideneamino] benzoate

Systemtic Name: [(Z)-1-(4-phenylsulfanylphenyl)octylideneamino] benzoate Openeye Name: [(Z)-1-(4-phenylsulfanylphenyl)octylideneamino] benzoate CAS Name: benzoic acid [(Z)-1-[4-(phenylthio)phenyl]octylideneamino] ester IUPAC Name: [(Z)-1-(4-phenylsulfanylphenyl)octylideneamino] benzoate Traditional Name: benzoic acid [(Z)-1-[4-(phenylthio)phenyl]octylideneamino] ester Formula: C27H29NO2S MolecularWeight: 431.58966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=NOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CCCCCCC/C(=N/OC(=O)C1=CC=CC=C1)/C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C27H29NO2S/c1-2-3-4-5-12-17-26(28-30-27(29)23-13-8-6-9-14-23)22-18-20-25(21-19-22)31-24-15-10-7-11-16-24/h6-11,13-16,18-21H,2-5,12,17H2,1H3/b28-26-