[(3-azanyl-4,4-diethyl-6-oxidanyl-2,3-dihydro-1H-naphthalen-2-yl)-sulfanyl-methyl]phosphonic acid

Systemtic Name: [(3-azanyl-4,4-diethyl-6-oxidanyl-2,3-dihydro-1H-naphthalen-2-yl)-sulfanyl-methyl]phosphonic acid Openeye Name: [(3-amino-4,4-diethyl-6-hydroxy-tetralin-2-yl)-sulfanyl-methyl]phosphonic acid CAS Name: [(3-amino-4,4-diethyl-6-hydroxy-2,3-dihydro-1H-naphthalen-2-yl)-mercaptomethyl]phosphonic acid IUPAC Name: [(3-amino-4,4-diethyl-6-hydroxy-2,3-dihydro-1H-naphthalen-2-yl)-sulfanylmethyl]phosphonic acid Traditional Name: [(3-amino-4,4-diethyl-6-hydroxy-tetralin-2-yl)-mercapto-methyl]phosphonic acid Formula: C15H24NO4PS MolecularWeight: 345.394121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CC2=C1C=C(C=C2)O)C(P(=O)(O)O)S)N)CC

Isomeric SMILES

CCC1(C(C(CC2=C1C=C(C=C2)O)C(P(=O)(O)O)S)N)CC

InChI

InChI=1S/C15H24NO4PS/c1-3-15(4-2)12-8-10(17)6-5-9(12)7-11(13(15)16)14(22)21(18,19)20/h5-6,8,11,13-14,17,22H,3-4,7,16H2,1-2H3,(H2,18,19,20)