3-chloranylsulfonyl-4-(5-oxidanyl-5-oxidanylidene-pentoxy)benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-(5-oxidanyl-5-oxidanylidene-pentoxy)benzoic acid Openeye Name: 3-chlorosulfonyl-4-(5-hydroxy-5-oxo-pentoxy)benzoic acid CAS Name: 3-chlorosulfonyl-4-(5-hydroxy-5-oxopentoxy)benzoic acid IUPAC Name: 3-chlorosulfonyl-4-(5-hydroxy-5-oxopentoxy)benzoic acid Traditional Name: 3-chlorosulfonyl-4-(5-hydroxy-5-keto-pentoxy)benzoic acid Formula: C12H13ClO7S MolecularWeight: 336.74542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)OCCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)OCCCCC(=O)O

InChI

InChI=1S/C12H13ClO7S/c13-21(18,19)10-7-8(12(16)17)4-5-9(10)20-6-2-1-3-11(14)15/h4-5,7H,1-3,6H2,(H,14,15)(H,16,17)