[4-(3-methylbutoxy)phenyl] 4-methylbenzenesulfinate

Systemtic Name: [4-(3-methylbutoxy)phenyl] 4-methylbenzenesulfinate Openeye Name: (4-isopentyloxyphenyl) 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [4-(3-methylbutoxy)phenyl] ester IUPAC Name: [4-(3-methylbutoxy)phenyl] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid (4-isoamoxyphenyl) ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)OC2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)OC2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C18H22O3S/c1-14(2)12-13-20-16-6-8-17(9-7-16)21-22(19)18-10-4-15(3)5-11-18/h4-11,14H,12-13H2,1-3H3