7-thiophen-2-yl-7-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptanoic acid

Systemtic Name: 7-thiophen-2-yl-7-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptanoic acid Openeye Name: 7-(2-thienyl)-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)heptanoic acid CAS Name: 7-thiophen-2-yl-7-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)heptanoic acid IUPAC Name: 7-thiophen-2-yl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid Traditional Name: 7-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-7-(2-thienyl)enanthic acid Formula: C20H24O4S MolecularWeight: 360.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CS2)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CS2)C

InChI

InChI=1S/C20H24O4S/c1-12-13(2)20(24)18(14(3)19(12)23)15(16-9-7-11-25-16)8-5-4-6-10-17(21)22/h7,9,11,15H,4-6,8,10H2,1-3H3,(H,21,22)