2-chloranyl-5-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylsulfonyl)-4-fluoranyl-benzoic acid

Systemtic Name: 2-chloranyl-5-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylsulfonyl)-4-fluoranyl-benzoic acid Openeye Name: 2-chloro-5-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylsulfonyl)-4-fluoro-benzoic acid CAS Name: 2-chloro-5-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylsulfonyl)-4-fluorobenzoic acid IUPAC Name: 2-chloro-5-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylsulfonyl)-4-fluorobenzoic acid Traditional Name: 2-chloro-5-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylsulfonyl)-4-fluoro-benzoic acid Formula: C15H17ClFNO6S MolecularWeight: 393.814983

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2(CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F)OC1

Isomeric SMILES

C1COC2(CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F)OC1

InChI

InChI=1S/C15H17ClFNO6S/c16-11-9-12(17)13(8-10(11)14(19)20)25(21,22)18-4-2-15(3-5-18)23-6-1-7-24-15/h8-9H,1-7H2,(H,19,20)