2-oxidanyl-4-[8-(phenylsulfonyl)octoxy]benzoic acid

Systemtic Name: 2-oxidanyl-4-[8-(phenylsulfonyl)octoxy]benzoic acid Openeye Name: 4-[8-(benzenesulfonyl)octoxy]-2-hydroxy-benzoic acid CAS Name: 4-[8-(benzenesulfonyl)octoxy]-2-hydroxybenzoic acid IUPAC Name: 4-[8-(benzenesulfonyl)octoxy]-2-hydroxybenzoic acid Traditional Name: 4-(8-besyloctoxy)-2-hydroxy-benzoic acid Formula: C21H26O6S MolecularWeight: 406.49254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCCCCCCCOC2=CC(=C(C=C2)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCCCCCCCOC2=CC(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C21H26O6S/c22-20-16-17(12-13-19(20)21(23)24)27-14-8-3-1-2-4-9-15-28(25,26)18-10-6-5-7-11-18/h5-7,10-13,16,22H,1-4,8-9,14-15H2,(H,23,24)