4-(2-oxidanyldecoxy)-3-(phenylcarbonyl)benzenesulfonic acid

Systemtic Name: 4-(2-oxidanyldecoxy)-3-(phenylcarbonyl)benzenesulfonic acid Openeye Name: 3-benzoyl-4-(2-hydroxydecoxy)benzenesulfonic acid CAS Name: 3-benzoyl-4-(2-hydroxydecoxy)benzenesulfonic acid IUPAC Name: 3-benzoyl-4-(2-hydroxydecoxy)benzenesulfonic acid Traditional Name: 3-benzoyl-4-(2-hydroxydecoxy)besylic acid Formula: C23H30O6S MolecularWeight: 434.5457

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(COC1=C(C=C(C=C1)S(=O)(=O)O)C(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCC(COC1=C(C=C(C=C1)S(=O)(=O)O)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C23H30O6S/c1-2-3-4-5-6-10-13-19(24)17-29-22-15-14-20(30(26,27)28)16-21(22)23(25)18-11-8-7-9-12-18/h7-9,11-12,14-16,19,24H,2-6,10,13,17H2,1H3,(H,26,27,28)