2-[1,1-bis(oxidanylidene)-2-(5-pent-1-ynylthiophen-2-yl)thian-2-yl]ethanoic acid

Systemtic Name: 2-[1,1-bis(oxidanylidene)-2-(5-pent-1-ynylthiophen-2-yl)thian-2-yl]ethanoic acid Openeye Name: 2-[1,1-dioxo-2-(5-pent-1-ynyl-2-thienyl)thian-2-yl]acetic acid CAS Name: 2-[1,1-dioxo-2-(5-pent-1-ynyl-2-thiophenyl)-2-thianyl]acetic acid IUPAC Name: 2-[1,1-dioxo-2-(5-pent-1-ynylthiophen-2-yl)thian-2-yl]acetic acid Traditional Name: 2-[1,1-diketo-2-(5-pent-1-ynyl-2-thienyl)thian-2-yl]acetic acid Formula: C16H20O4S2 MolecularWeight: 340.4576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC=C(S1)C2(CCCCS2(=O)=O)CC(=O)O

Isomeric SMILES

CCCC#CC1=CC=C(S1)C2(CCCCS2(=O)=O)CC(=O)O

InChI

InChI=1S/C16H20O4S2/c1-2-3-4-7-13-8-9-14(21-13)16(12-15(17)18)10-5-6-11-22(16,19)20/h8-9H,2-3,5-6,10-12H2,1H3,(H,17,18)