[[(4-butan-2-ylphenyl)amino]-thiophen-3-yl-methyl]phosphonic acid; propan-2-ol

Systemtic Name: [[(4-butan-2-ylphenyl)amino]-thiophen-3-yl-methyl]phosphonic acid; propan-2-ol Openeye Name: propan-2-ol; [(4-sec-butylanilino)-(3-thienyl)methyl]phosphonic acid CAS Name: [(4-butan-2-ylanilino)-(3-thiophenyl)methyl]phosphonic acid; 2-propanol IUPAC Name: [(4-butan-2-ylanilino)-thiophen-3-ylmethyl]phosphonic acid; propan-2-ol Traditional Name: propan-2-ol; [(4-sec-butylanilino)-(3-thienyl)methyl]phosphonic acid Formula: C18H28NO4PS MolecularWeight: 385.457981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(C2=CSC=C2)P(=O)(O)O.CC(C)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(C2=CSC=C2)P(=O)(O)O.CC(C)O

InChI

InChI=1S/C15H20NO3PS.C3H8O/c1-3-11(2)12-4-6-14(7-5-12)16-15(20(17,18)19)13-8-9-21-10-13;1-3(2)4/h4-11,15-16H,3H2,1-2H3,(H2,17,18,19);3-4H,1-2H3