(3-pentadecylphenyl) 2-[(3-hydroxyphenyl)amino]ethanesulfonate

Systemtic Name: (3-pentadecylphenyl) 2-[(3-hydroxyphenyl)amino]ethanesulfonate Openeye Name: (3-pentadecylphenyl) 2-(3-hydroxyanilino)ethanesulfonate CAS Name: 2-(3-hydroxyanilino)ethanesulfonic acid (3-pentadecylphenyl) ester IUPAC Name: (3-pentadecylphenyl) 2-(3-hydroxyanilino)ethanesulfonate Traditional Name: 2-(3-hydroxyanilino)ethanesulfonic acid (3-pentadecylphenyl) ester Formula: C29H45NO4S MolecularWeight: 503.7369

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OS(=O)(=O)CCNC2=CC(=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OS(=O)(=O)CCNC2=CC(=CC=C2)O

InChI

InChI=1S/C29H45NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-18-15-21-29(24-26)34-35(32,33)23-22-30-27-19-16-20-28(31)25-27/h15-16,18-21,24-25,30-31H,2-14,17,22-23H2,1H3