3-[[7-(1-oxidanylnonyl)naphthalen-2-yl]methylsulfonyl]benzoic acid

Systemtic Name: 3-[[7-(1-oxidanylnonyl)naphthalen-2-yl]methylsulfonyl]benzoic acid Openeye Name: 3-[[7-(1-hydroxynonyl)-2-naphthyl]methylsulfonyl]benzoic acid CAS Name: 3-[[7-(1-hydroxynonyl)-2-naphthalenyl]methylsulfonyl]benzoic acid IUPAC Name: 3-[[7-(1-hydroxynonyl)naphthalen-2-yl]methylsulfonyl]benzoic acid Traditional Name: 3-[[7-(1-hydroxynonyl)-2-naphthyl]methylsulfonyl]benzoic acid Formula: C27H32O5S MolecularWeight: 468.60498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C1=CC2=C(C=CC(=C2)CS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C=C1)O

Isomeric SMILES

CCCCCCCCC(C1=CC2=C(C=CC(=C2)CS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C=C1)O

InChI

InChI=1S/C27H32O5S/c1-2-3-4-5-6-7-11-26(28)22-15-14-21-13-12-20(16-24(21)17-22)19-33(31,32)25-10-8-9-23(18-25)27(29)30/h8-10,12-18,26,28H,2-7,11,19H2,1H3,(H,29,30)