6-[(4E)-3-oxidanylidene-4-[(4-phenylphenyl)-sulfanyl-methylidene]cyclohexa-1,5-dien-1-yl]oxyhexanoic acid

Systemtic Name: 6-[(4E)-3-oxidanylidene-4-[(4-phenylphenyl)-sulfanyl-methylidene]cyclohexa-1,5-dien-1-yl]oxyhexanoic acid Openeye Name: 6-[(4E)-3-oxo-4-[(4-phenylphenyl)-sulfanyl-methylene]cyclohexa-1,5-dien-1-yl]oxyhexanoic acid CAS Name: 6-[[(4E)-4-[mercapto-(4-phenylphenyl)methylidene]-3-oxo-1-cyclohexa-1,5-dienyl]oxy]hexanoic acid IUPAC Name: 6-[(4E)-3-oxo-4-[(4-phenylphenyl)-sulfanylmethylidene]cyclohexa-1,5-dien-1-yl]oxyhexanoic acid Traditional Name: 6-[(4E)-3-keto-4-[mercapto-(4-phenylphenyl)methylene]cyclohexa-1,5-dien-1-yl]oxyhexanoic acid Formula: C25H24O4S MolecularWeight: 420.52066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=C3C=CC(=CC3=O)OCCCCCC(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)/C(=C\3/C=CC(=CC3=O)OCCCCCC(=O)O)/S

InChI

InChI=1S/C25H24O4S/c26-23-17-21(29-16-6-2-5-9-24(27)28)14-15-22(23)25(30)20-12-10-19(11-13-20)18-7-3-1-4-8-18/h1,3-4,7-8,10-15,17,30H,2,5-6,9,16H2,(H,27,28)/b25-22+