azane; 2-oxidanylethanoyl 2-oxidanylethanoate; 2-phenylethanamine

Systemtic Name: azane; 2-oxidanylethanoyl 2-oxidanylethanoate; 2-phenylethanamine Openeye Name: ammonia; (2-hydroxyacetyl) 2-hydroxyacetate; 2-phenylethanamine CAS Name: ammonia; 2-hydroxyacetic acid (2-hydroxy-1-oxoethyl) ester; 2-phenylethanamine IUPAC Name: azane; (2-hydroxyacetyl) 2-hydroxyacetate; 2-phenylethanamine Traditional Name: ammonia; 2-hydroxyacetic acid glycoloyl ester; phenethylamine Formula: C16H26N2O10 MolecularWeight: 406.38504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN.C(C(=O)OC(=O)CO)O.C(C(=O)OC(=O)CO)O.N

Isomeric SMILES

C1=CC=C(C=C1)CCN.C(C(=O)OC(=O)CO)O.C(C(=O)OC(=O)CO)O.N

InChI

InChI=1S/C8H11N.2C4H6O5.H3N/c9-7-6-8-4-2-1-3-5-8;2*5-1-3(7)9-4(8)2-6;/h1-5H,6-7,9H2;2*5-6H,1-2H2;1H3