2-[5-ethyl-2,4-bis(phenylsulfonyl)phenyl]benzoate

Systemtic Name: 2-[5-ethyl-2,4-bis(phenylsulfonyl)phenyl]benzoate Openeye Name: 2-[2,4-bis(benzenesulfonyl)-5-ethyl-phenyl]benzoate CAS Name: 2-[2,4-bis(benzenesulfonyl)-5-ethylphenyl]benzoate IUPAC Name: 2-[2,4-bis(benzenesulfonyl)-5-ethylphenyl]benzoate Traditional Name: 2-(2,4-dibesyl-5-ethyl-phenyl)benzoate Formula: C27H21O6S2- MolecularWeight: 505.58204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=CC=C2C(=O)[O-])S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC=CC=C2C(=O)[O-])S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H22O6S2/c1-2-19-17-24(22-15-9-10-16-23(22)27(28)29)26(35(32,33)21-13-7-4-8-14-21)18-25(19)34(30,31)20-11-5-3-6-12-20/h3-18H,2H2,1H3,(H,28,29)/p-1