3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 4-hydroxy-3-(2-naphthylsulfanyl)-2-(2-naphthylsulfanylmethyl)-5-oxo-furan-2-carboxylic acid CAS Name: 4-hydroxy-3-(2-naphthalenylthio)-2-[(2-naphthalenylthio)methyl]-5-oxo-2-furancarboxylic acid IUPAC Name: 4-hydroxy-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)-5-oxofuran-2-carboxylic acid Traditional Name: 4-hydroxy-5-keto-3-(2-naphthylthio)-2-[(2-naphthylthio)methyl]-2-furoic acid Formula: C26H18O5S2 MolecularWeight: 474.54812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCC3(C(=C(C(=O)O3)O)SC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCC3(C(=C(C(=O)O3)O)SC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C26H18O5S2/c27-22-23(33-21-12-10-17-6-2-4-8-19(17)14-21)26(25(29)30,31-24(22)28)15-32-20-11-9-16-5-1-3-7-18(16)13-20/h1-14,27H,15H2,(H,29,30)