2-(2-methyl-4-oxidanylidene-5,6,7,8-tetrahydrocyclohepta[b]thiophen-5-yl)ethanoic acid

Systemtic Name: 2-(2-methyl-4-oxidanylidene-5,6,7,8-tetrahydrocyclohepta[b]thiophen-5-yl)ethanoic acid Openeye Name: 2-(2-methyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]thiophen-5-yl)acetic acid CAS Name: 2-(2-methyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]thiophen-5-yl)acetic acid IUPAC Name: 2-(2-methyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]thiophen-5-yl)acetic acid Traditional Name: 2-(4-keto-2-methyl-5,6,7,8-tetrahydrocyclohepta[b]thiophen-5-yl)acetic acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)CCCC(C2=O)CC(=O)O

Isomeric SMILES

CC1=CC2=C(S1)CCCC(C2=O)CC(=O)O

InChI

InChI=1S/C12H14O3S/c1-7-5-9-10(16-7)4-2-3-8(12(9)15)6-11(13)14/h5,8H,2-4,6H2,1H3,(H,13,14)