hexanedioic acid; 1-phenylpropan-2-amine; (2S)-1-phenylpropan-2-amine; sulfuric acid

Systemtic Name: hexanedioic acid; 1-phenylpropan-2-amine; (2S)-1-phenylpropan-2-amine; sulfuric acid Openeye Name: adipic acid; 1-phenylpropan-2-amine; (2S)-1-phenylpropan-2-amine; sulfuric acid CAS Name: hexanedioic acid; 1-phenyl-2-propanamine; (2S)-1-phenyl-2-propanamine; sulfuric acid IUPAC Name: hexanedioic acid; 1-phenylpropan-2-amine; (2S)-1-phenylpropan-2-amine; sulfuric acid Traditional Name: adipic acid; [(1S)-1-methyl-2-phenyl-ethyl]amine; (1-methyl-2-phenyl-ethyl)amine; sulfuric acid Formula: C57H89N5O16S2 MolecularWeight: 1164.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.C(CCC(=O)O)CC(=O)O.C(CCC(=O)O)CC(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

Isomeric SMILES

C[C@@H](CC1=CC=CC=C1)N.C[C@@H](CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.C(CCC(=O)O)CC(=O)O.C(CCC(=O)O)CC(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/5C9H13N.2C6H10O4.2H2O4S/c5*1-8(10)7-9-5-3-2-4-6-9;2*7-5(8)3-1-2-4-6(9)10;2*1-5(2,3)4/h5*2-6,8H,7,10H2,1H3;2*1-4H2,(H,7,8)(H,9,10);2*(H2,1,2,3,4)/t2*8-;;;;;;;/m00......./s1