azane; 5-oxidanylidene-5-(5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-pentanoic acid; 2-phenylethanamine

Systemtic Name: azane; 5-oxidanylidene-5-(5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-pentanoic acid; 2-phenylethanamine Openeye Name: ammonia; 5-(5-hydroxy-5-oxo-pentanoyl)oxy-5-oxo-pentanoic acid; 2-phenylethanamine CAS Name: ammonia; 5-(5-hydroxy-1,5-dioxopentoxy)-5-oxopentanoic acid; 2-phenylethanamine IUPAC Name: azane; 5-(5-hydroxy-5-oxopentanoyl)oxy-5-oxopentanoic acid; 2-phenylethanamine Traditional Name: ammonia; 5-(5-hydroxy-5-keto-pentanoyl)oxy-5-keto-valeric acid; phenethylamine Formula: C18H28N2O7 MolecularWeight: 384.42412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O7.C8H11N.H3N/c11-7(12)3-1-5-9(15)17-10(16)6-2-4-8(13)14;9-7-6-8-4-2-1-3-5-8;/h1-6H2,(H,11,12)(H,13,14);1-5H,6-7,9H2;1H3