4-[1-(4-carboxyphenoxy)propoxy]benzoic acid; decanedioic acid

Systemtic Name: 4-[1-(4-carboxyphenoxy)propoxy]benzoic acid; decanedioic acid Openeye Name: 4-[1-(4-carboxyphenoxy)propoxy]benzoic acid; decanedioic acid CAS Name: 4-[1-(4-carboxyphenoxy)propoxy]benzoic acid; decanedioic acid IUPAC Name: 4-[1-(4-carboxyphenoxy)propoxy]benzoic acid; decanedioic acid Traditional Name: 4-[1-(4-carboxyphenoxy)propoxy]benzoic acid; sebacic acid Formula: C27H34O10 MolecularWeight: 518.55286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=CC=C(C=C1)C(=O)O)OC2=CC=C(C=C2)C(=O)O.C(CCCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CCC(OC1=CC=C(C=C1)C(=O)O)OC2=CC=C(C=C2)C(=O)O.C(CCCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C17H16O6.C10H18O4/c1-2-15(22-13-7-3-11(4-8-13)16(18)19)23-14-9-5-12(6-10-14)17(20)21;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h3-10,15H,2H2,1H3,(H,18,19)(H,20,21);1-8H2,(H,11,12)(H,13,14)