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

Systemtic Name: 3-ethyl-2-oxidanyl-5-(1-phenylethyl)benzenesulfonic acid Openeye Name: 3-ethyl-2-hydroxy-5-(1-phenylethyl)benzenesulfonic acid CAS Name: 3-ethyl-2-hydroxy-5-(1-phenylethyl)benzenesulfonic acid IUPAC Name: 3-ethyl-2-hydroxy-5-(1-phenylethyl)benzenesulfonic acid Traditional Name: 3-ethyl-2-hydroxy-5-(1-phenylethyl)besylic acid Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)C(C)C2=CC=CC=C2)S(=O)(=O)O)O

Isomeric SMILES

CCC1=C(C(=CC(=C1)C(C)C2=CC=CC=C2)S(=O)(=O)O)O

InChI

InChI=1S/C16H18O4S/c1-3-12-9-14(10-15(16(12)17)21(18,19)20)11(2)13-7-5-4-6-8-13/h4-11,17H,3H2,1-2H3,(H,18,19,20)