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2-[(2-oxidanyl-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl)methylsulfanyl]benzoic acid

2-[(2-oxidanyl-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl)methylsulfanyl]benzoic acid

Systemtic Name:2-[(2-oxidanyl-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl)methylsulfanyl]benzoic acid
Openeye Name:2-[(6-hydroxy-1-oxo-tetralin-5-yl)methylsulfanyl]benzoic acid
CAS Name:2-[(2-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methylthio]benzoic acid
IUPAC Name:2-[(2-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)methylsulfanyl]benzoic acid
Traditional Name:2-[(6-hydroxy-1-keto-tetralin-5-yl)methylthio]benzoic acid
Formula: C18H16O4S
MolecularWeight: 328.38224
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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2CSC3=CC=CC=C3C(=O)O)O)C(=O)C1


Isomeric SMILES

C1CC2=C(C=CC(=C2CSC3=CC=CC=C3C(=O)O)O)C(=O)C1


InChI

InChI=1S/C18H16O4S/c19-15-6-3-5-11-12(15)8-9-16(20)14(11)10-23-17-7-2-1-4-13(17)18(21)22/h1-2,4,7-9,20H,3,5-6,10H2,(H,21,22)


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