2-azanyl-3-oxidanyl-1,7-diphenyl-heptan-4-one; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-3-oxidanyl-1,7-diphenyl-heptan-4-one; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-3-hydroxy-1,7-diphenyl-heptan-4-one; 4-methylbenzenesulfonic acid CAS Name: 2-amino-3-hydroxy-1,7-diphenyl-4-heptanone; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-3-hydroxy-1,7-diphenylheptan-4-one; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-3-hydroxy-1,7-diphenyl-heptan-4-one; tosylic acid Formula: C26H31NO5S MolecularWeight: 469.59304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCCC(=O)C(C(CC2=CC=CC=C2)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCCC(=O)C(C(CC2=CC=CC=C2)N)O

InChI

InChI=1S/C19H23NO2.C7H8O3S/c20-17(14-16-10-5-2-6-11-16)19(22)18(21)13-7-12-15-8-3-1-4-9-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,8-11,17,19,22H,7,12-14,20H2;2-5H,1H3,(H,8,9,10)