3-chloranylsulfonyl-4-phenyl-5-prop-2-ynoxy-benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-phenyl-5-prop-2-ynoxy-benzoic acid Openeye Name: 3-chlorosulfonyl-4-phenyl-5-prop-2-ynoxy-benzoic acid CAS Name: 3-chlorosulfonyl-4-phenyl-5-prop-2-ynoxybenzoic acid IUPAC Name: 3-chlorosulfonyl-4-phenyl-5-prop-2-ynoxybenzoic acid Traditional Name: 3-chlorosulfonyl-4-phenyl-5-propargyloxy-benzoic acid Formula: C16H11ClO5S MolecularWeight: 350.77354

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C2=CC=CC=C2

Isomeric SMILES

C#CCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C2=CC=CC=C2

InChI

InChI=1S/C16H11ClO5S/c1-2-8-22-13-9-12(16(18)19)10-14(23(17,20)21)15(13)11-6-4-3-5-7-11/h1,3-7,9-10H,8H2,(H,18,19)