8-oxidanylidene-1-pentylsulfanylcarbonyl-6,7-dihydro-5H-naphthalene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-1-pentylsulfanylcarbonyl-6,7-dihydro-5H-naphthalene-2-carboxylic acid Openeye Name: 4-oxo-5-pentylsulfanylcarbonyl-tetralin-6-carboxylic acid CAS Name: 8-oxo-1-[oxo-(pentylthio)methyl]-6,7-dihydro-5H-naphthalene-2-carboxylic acid IUPAC Name: 8-oxo-1-pentylsulfanylcarbonyl-6,7-dihydro-5H-naphthalene-2-carboxylic acid Traditional Name: 5-(amylthio)carbonyl-4-keto-tetralin-6-carboxylic acid Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(=O)C1=C(C=CC2=C1C(=O)CCC2)C(=O)O

Isomeric SMILES

CCCCCSC(=O)C1=C(C=CC2=C1C(=O)CCC2)C(=O)O

InChI

InChI=1S/C17H20O4S/c1-2-3-4-10-22-17(21)15-12(16(19)20)9-8-11-6-5-7-13(18)14(11)15/h8-9H,2-7,10H2,1H3,(H,19,20)