butane-1,3-diol; hexanedioic acid; hexane-1,6-diol

Systemtic Name: butane-1,3-diol; hexanedioic acid; hexane-1,6-diol Openeye Name: adipic acid; butane-1,3-diol; hexane-1,6-diol CAS Name: butane-1,3-diol; hexanedioic acid; hexane-1,6-diol IUPAC Name: butane-1,3-diol; hexanedioic acid; hexane-1,6-diol Traditional Name: adipic acid; butane-1,3-diol; hexane-1,6-diol Formula: C16H34O8 MolecularWeight: 354.43636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC(CCO)O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C6H10O4.C6H14O2.C4H10O2/c7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8;1-4(6)2-3-5/h1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2;4-6H,2-3H2,1H3