3-chloranylsulfonyl-5-pentoxy-4-phenyl-benzoic acid

Systemtic Name: 3-chloranylsulfonyl-5-pentoxy-4-phenyl-benzoic acid Openeye Name: 3-chlorosulfonyl-5-pentoxy-4-phenyl-benzoic acid CAS Name: 3-chlorosulfonyl-5-pentoxy-4-phenylbenzoic acid IUPAC Name: 3-chlorosulfonyl-5-pentoxy-4-phenylbenzoic acid Traditional Name: 3-amoxy-5-chlorosulfonyl-4-phenyl-benzoic acid Formula: C18H19ClO5S MolecularWeight: 382.85846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C2=CC=CC=C2

InChI

InChI=1S/C18H19ClO5S/c1-2-3-7-10-24-15-11-14(18(20)21)12-16(25(19,22)23)17(15)13-8-5-4-6-9-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,20,21)