[4-(ethanethioylamino)-7-phosphono-naphthalen-1-yl]phosphonic acid

Systemtic Name: [4-(ethanethioylamino)-7-phosphono-naphthalen-1-yl]phosphonic acid Openeye Name: [4-(ethanethioylamino)-7-phosphono-1-naphthyl]phosphonic acid CAS Name: [7-phosphono-4-(1-sulfanylideneethylamino)-1-naphthalenyl]phosphonic acid IUPAC Name: [4-(ethanethioylamino)-7-phosphononaphthalen-1-yl]phosphonic acid Traditional Name: [7-phosphono-4-(thioacetylamino)-1-naphthyl]phosphonic acid Formula: C12H13NO6P2S MolecularWeight: 361.247242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=C2C=CC(=CC2=C(C=C1)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(=S)NC1=C2C=CC(=CC2=C(C=C1)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H13NO6P2S/c1-7(22)13-11-4-5-12(21(17,18)19)10-6-8(20(14,15)16)2-3-9(10)11/h2-6H,1H3,(H,13,22)(H2,14,15,16)(H2,17,18,19)