4-[5-(4-methylthiophen-2-yl)-5-oxidanylidene-pentoxy]benzoic acid

Systemtic Name: 4-[5-(4-methylthiophen-2-yl)-5-oxidanylidene-pentoxy]benzoic acid Openeye Name: 4-[5-(4-methyl-2-thienyl)-5-oxo-pentoxy]benzoic acid CAS Name: 4-[5-(4-methyl-2-thiophenyl)-5-oxopentoxy]benzoic acid IUPAC Name: 4-[5-(4-methylthiophen-2-yl)-5-oxopentoxy]benzoic acid Traditional Name: 4-[5-keto-5-(4-methyl-2-thienyl)pentoxy]benzoic acid Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(=O)CCCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(=O)CCCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H18O4S/c1-12-10-16(22-11-12)15(18)4-2-3-9-21-14-7-5-13(6-8-14)17(19)20/h5-8,10-11H,2-4,9H2,1H3,(H,19,20)