2-(6-butyl-5-oxidanylidene-3-phenyl-cyclohepta-1,3,6-trien-1-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-butyl-5-oxidanylidene-3-phenyl-cyclohepta-1,3,6-trien-1-yl)sulfanylethanoic acid Openeye Name: 2-(6-butyl-5-oxo-3-phenyl-cyclohepta-1,3,6-trien-1-yl)sulfanylacetic acid CAS Name: 2-[(6-butyl-5-oxo-3-phenyl-1-cyclohepta-1,3,6-trienyl)thio]acetic acid IUPAC Name: 2-(6-butyl-5-oxo-3-phenylcyclohepta-1,3,6-trien-1-yl)sulfanylacetic acid Traditional Name: 2-[(6-butyl-5-keto-3-phenyl-cyclohepta-1,3,6-trien-1-yl)thio]acetic acid Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=CC1=O)C2=CC=CC=C2)SCC(=O)O

Isomeric SMILES

CCCCC1=CC(=CC(=CC1=O)C2=CC=CC=C2)SCC(=O)O

InChI

InChI=1S/C19H20O3S/c1-2-3-7-15-10-17(23-13-19(21)22)11-16(12-18(15)20)14-8-5-4-6-9-14/h4-6,8-12H,2-3,7,13H2,1H3,(H,21,22)