3-chloranylsulfonyl-4-heptoxy-benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-heptoxy-benzoic acid Openeye Name: 3-chlorosulfonyl-4-heptoxy-benzoic acid CAS Name: 3-chlorosulfonyl-4-heptoxybenzoic acid IUPAC Name: 3-chlorosulfonyl-4-heptoxybenzoic acid Traditional Name: 3-chlorosulfonyl-4-heptoxy-benzoic acid Formula: C14H19ClO5S MolecularWeight: 334.81566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)Cl

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)Cl

InChI

InChI=1S/C14H19ClO5S/c1-2-3-4-5-6-9-20-12-8-7-11(14(16)17)10-13(12)21(15,18)19/h7-8,10H,2-6,9H2,1H3,(H,16,17)