[1-(3-methylsulfanyl-4-oxidanyl-naphthalen-1-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-(3-methylsulfanyl-4-oxidanyl-naphthalen-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-(4-hydroxy-3-methylsulfanyl-1-naphthyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-[4-hydroxy-3-(methylthio)-1-naphthalenyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-(4-hydroxy-3-methylsulfanylnaphthalen-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-[4-hydroxy-3-(methylthio)-1-naphthyl]-1-phosphono-ethyl]phosphonic acid Formula: C13H16O7P2S MolecularWeight: 378.274462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C2=CC=CC=C21)O)SC)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C1=CC(=C(C2=CC=CC=C21)O)SC)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H16O7P2S/c1-13(21(15,16)17,22(18,19)20)10-7-11(23-2)12(14)9-6-4-3-5-8(9)10/h3-7,14H,1-2H3,(H2,15,16,17)(H2,18,19,20)