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

Systemtic Name: [4-(carbamothioylamino)-7-phosphono-naphthalen-1-yl]phosphonic acid Openeye Name: [4-(carbamothioylamino)-7-phosphono-1-naphthyl]phosphonic acid CAS Name: [4-(carbamothioylamino)-7-phosphono-1-naphthalenyl]phosphonic acid IUPAC Name: [4-(carbamothioylamino)-7-phosphononaphthalen-1-yl]phosphonic acid Traditional Name: (7-phosphono-4-thioureido-1-naphthyl)phosphonic acid Formula: C11H12N2O6P2S MolecularWeight: 362.235302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C=C1P(=O)(O)O)P(=O)(O)O)NC(=S)N

Isomeric SMILES

C1=CC2=C(C=CC(=C2C=C1P(=O)(O)O)P(=O)(O)O)NC(=S)N

InChI

InChI=1S/C11H12N2O6P2S/c12-11(22)13-9-3-4-10(21(17,18)19)8-5-6(20(14,15)16)1-2-7(8)9/h1-5H,(H3,12,13,22)(H2,14,15,16)(H2,17,18,19)