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5-nonyl-2-oxidanyl-3-(1-phenylethyl)benzenesulfonic acid

5-nonyl-2-oxidanyl-3-(1-phenylethyl)benzenesulfonic acid

Systemtic Name:5-nonyl-2-oxidanyl-3-(1-phenylethyl)benzenesulfonic acid
Openeye Name:2-hydroxy-5-nonyl-3-(1-phenylethyl)benzenesulfonic acid
CAS Name:2-hydroxy-5-nonyl-3-(1-phenylethyl)benzenesulfonic acid
IUPAC Name:2-hydroxy-5-nonyl-3-(1-phenylethyl)benzenesulfonic acid
Traditional Name:2-hydroxy-5-nonyl-3-(1-phenylethyl)besylic acid
Formula: C23H32O4S
MolecularWeight: 404.56278
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)O)O)C(C)C2=CC=CC=C2


Isomeric SMILES

CCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)O)O)C(C)C2=CC=CC=C2


InChI

InChI=1S/C23H32O4S/c1-3-4-5-6-7-8-10-13-19-16-21(18(2)20-14-11-9-12-15-20)23(24)22(17-19)28(25,26)27/h9,11-12,14-18,24H,3-8,10,13H2,1-2H3,(H,25,26,27)


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