[butylamino-(4-methoxyphenyl)sulfanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [butylamino-(4-methoxyphenyl)sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [butylamino-(4-methoxyphenyl)sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [butylamino-[(4-methoxyphenyl)thio]-phosphonomethyl]phosphonic acid IUPAC Name: [butylamino-(4-methoxyphenyl)sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [butylamino-[(4-methoxyphenyl)thio]-phosphono-methyl]phosphonic acid Formula: C12H21NO7P2S MolecularWeight: 385.310162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(P(=O)(O)O)(P(=O)(O)O)SC1=CC=C(C=C1)OC

Isomeric SMILES

CCCCNC(P(=O)(O)O)(P(=O)(O)O)SC1=CC=C(C=C1)OC

InChI

InChI=1S/C12H21NO7P2S/c1-3-4-9-13-12(21(14,15)16,22(17,18)19)23-11-7-5-10(20-2)6-8-11/h5-8,13H,3-4,9H2,1-2H3,(H2,14,15,16)(H2,17,18,19)