2,3-bis[1,1,2,2-tetraethoxy-2-(2-nonylphenoxy)ethyl]terephthalic acid

Systemtic Name: 2,3-bis[1,1,2,2-tetraethoxy-2-(2-nonylphenoxy)ethyl]terephthalic acid Openeye Name: 2,3-bis[1,1,2,2-tetraethoxy-2-(2-nonylphenoxy)ethyl]terephthalic acid CAS Name: 2,3-bis[1,1,2,2-tetraethoxy-2-(2-nonylphenoxy)ethyl]terephthalic acid IUPAC Name: 2,3-bis[1,1,2,2-tetraethoxy-2-(2-nonylphenoxy)ethyl]terephthalic acid Traditional Name: 2,3-bis[1,1,2,2-tetraethoxy-2-(2-nonylphenoxy)ethyl]terephthalic acid Formula: C58H90O14 MolecularWeight: 1011.3268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC(C(C2=C(C=CC(=C2C(C(OCC)(OCC)OC3=CC=CC=C3CCCCCCCCC)(OCC)OCC)C(=O)O)C(=O)O)(OCC)OCC)(OCC)OCC

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC(C(C2=C(C=CC(=C2C(C(OCC)(OCC)OC3=CC=CC=C3CCCCCCCCC)(OCC)OCC)C(=O)O)C(=O)O)(OCC)OCC)(OCC)OCC

InChI

InChI=1S/C58H90O14/c1-11-21-23-25-27-29-31-37-45-39-33-35-41-49(45)71-57(67-17-7,68-18-8)55(63-13-3,64-14-4)51-47(53(59)60)43-44-48(54(61)62)52(51)56(65-15-5,66-16-6)58(69-19-9,70-20-10)72-50-42-36-34-40-46(50)38-32-30-28-26-24-22-12-2/h33-36,39-44H,11-32,37-38H2,1-10H3,(H,59,60)(H,61,62)