4-[2-(3-hexadecylthiophen-2-yl)-3,4-bis(4-hydroxyphenyl)-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[2-(3-hexadecylthiophen-2-yl)-3,4-bis(4-hydroxyphenyl)-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-(3-hexadecyl-2-thienyl)-3,4-bis(4-hydroxyphenyl)-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[2-(3-hexadecyl-2-thiophenyl)-3,4-bis(4-hydroxyphenyl)-1H-pyrazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-(3-hexadecylthiophen-2-yl)-3,4-bis(4-hydroxyphenyl)-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[1-(3-cetyl-2-thienyl)-4,5-bis(4-hydroxyphenyl)-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C41H50N2O3S MolecularWeight: 650.9123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(SC=C1)N2C(=C(C(=C3C=CC(=O)C=C3)N2)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(SC=C1)N2C(=C(C(=C3C=CC(=O)C=C3)N2)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C41H50N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-34-29-30-47-41(34)43-40(33-21-27-37(46)28-22-33)38(31-17-23-35(44)24-18-31)39(42-43)32-19-25-36(45)26-20-32/h17-30,42,44,46H,2-16H2,1H3