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4-[3-(4-carboxyphenoxy)propoxy]benzoic acid; decanedioic acid

4-[3-(4-carboxyphenoxy)propoxy]benzoic acid; decanedioic acid

Systemtic Name:4-[3-(4-carboxyphenoxy)propoxy]benzoic acid; decanedioic acid
Openeye Name:4-[3-(4-carboxyphenoxy)propoxy]benzoic acid; decanedioic acid
CAS Name:4-[3-(4-carboxyphenoxy)propoxy]benzoic acid; decanedioic acid
IUPAC Name:4-[3-(4-carboxyphenoxy)propoxy]benzoic acid; decanedioic acid
Traditional Name:4-[3-(4-carboxyphenoxy)propoxy]benzoic acid; sebacic acid
Formula: C27H34O10
MolecularWeight: 518.55286
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCCOC2=CC=C(C=C2)C(=O)O.C(CCCCC(=O)O)CCCC(=O)O


Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCCOC2=CC=C(C=C2)C(=O)O.C(CCCCC(=O)O)CCCC(=O)O


InChI

InChI=1S/C17H16O6.C10H18O4/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h2-9H,1,10-11H2,(H,18,19)(H,20,21);1-8H2,(H,11,12)(H,13,14)


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