ethane-1,2-diol; 1-nonyl-2-(2-nonylphenoxy)benzene; prop-2-enoate

Systemtic Name: ethane-1,2-diol; 1-nonyl-2-(2-nonylphenoxy)benzene; prop-2-enoate Openeye Name: ethylene glycol; 1-nonyl-2-(2-nonylphenoxy)benzene; prop-2-enoate CAS Name: ethane-1,2-diol; 1-nonyl-2-(2-nonylphenoxy)benzene; 2-propenoate IUPAC Name: ethane-1,2-diol; 1-nonyl-2-(2-nonylphenoxy)benzene; prop-2-enoate Traditional Name: acrylate; ethylene glycol; 1-nonyl-2-(2-nonylphenoxy)benzene Formula: C35H55O5- MolecularWeight: 555.8082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2CCCCCCCCC.C=CC(=O)[O-].C(CO)O

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2CCCCCCCCC.C=CC(=O)[O-].C(CO)O

InChI

InChI=1S/C30H46O.C3H4O2.C2H6O2/c1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)31-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2;1-2-3(4)5;3-1-2-4/h17-20,23-26H,3-16,21-22H2,1-2H3;2H,1H2,(H,4,5);3-4H,1-2H2/p-1