2-(6-methyl-5-oxidanylidene-4-phenoxy-cyclohepta-1,3,6-trien-1-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-methyl-5-oxidanylidene-4-phenoxy-cyclohepta-1,3,6-trien-1-yl)sulfanylethanoic acid Openeye Name: 2-(6-methyl-5-oxo-4-phenoxy-cyclohepta-1,3,6-trien-1-yl)sulfanylacetic acid CAS Name: 2-[(6-methyl-5-oxo-4-phenoxy-1-cyclohepta-1,3,6-trienyl)thio]acetic acid IUPAC Name: 2-(6-methyl-5-oxo-4-phenoxycyclohepta-1,3,6-trien-1-yl)sulfanylacetic acid Traditional Name: 2-[(5-keto-6-methyl-4-phenoxy-cyclohepta-1,3,6-trien-1-yl)thio]acetic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C(C1=O)OC2=CC=CC=C2)SCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C(C1=O)OC2=CC=CC=C2)SCC(=O)O

InChI

InChI=1S/C16H14O4S/c1-11-9-13(21-10-15(17)18)7-8-14(16(11)19)20-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)