sodium [4-(carbamothioylamino)phenyl]methylphosphonic acid

Systemtic Name: sodium [4-(carbamothioylamino)phenyl]methylphosphonic acid Openeye Name: sodium [4-(carbamothioylamino)phenyl]methylphosphonic acid CAS Name: sodium [4-(carbamothioylamino)phenyl]methylphosphonic acid IUPAC Name: sodium [4-(carbamothioylamino)phenyl]methylphosphonic acid Traditional Name: sodium (4-thioureidobenzyl)phosphonic acid Formula: C8H11N2NaO3PS+ MolecularWeight: 269.213071

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CP(=O)(O)O)NC(=S)N.[Na+]

Isomeric SMILES

C1=CC(=CC=C1CP(=O)(O)O)NC(=S)N.[Na+]

InChI

InChI=1S/C8H11N2O3PS.Na/c9-8(15)10-7-3-1-6(2-4-7)5-14(11,12)13;/h1-4H,5H2,(H3,9,10,15)(H2,11,12,13);/q;+1