phenyl 4-methylbenzenesulfonate; 2-propan-2-yl-3-sulfonyl-furan

Systemtic Name: phenyl 4-methylbenzenesulfonate; 2-propan-2-yl-3-sulfonyl-furan Openeye Name: 2-isopropyl-3-sulfonyl-furan; phenyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid phenyl ester; 2-propan-2-yl-3-sulfonylfuran IUPAC Name: phenyl 4-methylbenzenesulfonate; 2-propan-2-yl-3-sulfonylfuran Traditional Name: 2-isopropyl-3-sulfonyl-furan; 4-methylbenzenesulfonic acid phenyl ester Formula: C20H22O6S2 MolecularWeight: 422.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2.CC(C)C1C(=S(=O)=O)C=CO1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2.CC(C)C1C(=S(=O)=O)C=CO1

InChI

InChI=1S/C13H12O3S.C7H10O3S/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12;1-5(2)7-6(11(8)9)3-4-10-7/h2-10H,1H3;3-5,7H,1-2H3