(2-nonylphenyl) 3-sulfooxypropanoate

Systemtic Name: (2-nonylphenyl) 3-sulfooxypropanoate Openeye Name: (2-nonylphenyl) 3-sulfooxypropanoate CAS Name: 3-sulfooxypropanoic acid (2-nonylphenyl) ester IUPAC Name: (2-nonylphenyl) 3-sulfooxypropanoate Traditional Name: 3-sulfoxypropionic acid (2-nonylphenyl) ester Formula: C18H28O6S MolecularWeight: 372.47632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC(=O)CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C18H28O6S/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)24-18(19)14-15-23-25(20,21)22/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,20,21,22)