[3-[(3-oxidanyl-3,3-diphosphono-propyl)carbamoyl]phenyl]astatine

Systemtic Name: [3-[(3-oxidanyl-3,3-diphosphono-propyl)carbamoyl]phenyl]astatine Openeye Name: [3-[(3-hydroxy-3,3-diphosphono-propyl)carbamoyl]phenyl]astatine CAS Name: [3-[[(3-hydroxy-3,3-diphosphonopropyl)amino]-oxomethyl]phenyl]astatine IUPAC Name: [3-[(3-hydroxy-3,3-diphosphonopropyl)carbamoyl]phenyl]astatine Traditional Name: [3-[(3-hydroxy-3,3-diphosphono-propyl)carbamoyl]phenyl]astatine Formula: C10H14AtNO8P2 MolecularWeight: 548.154713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[At])C(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC(=C1)[At])C(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H14AtNO8P2/c11-8-3-1-2-7(6-8)9(13)12-5-4-10(14,21(15,16)17)22(18,19)20/h1-3,6,14H,4-5H2,(H,12,13)(H2,15,16,17)(H2,18,19,20)