7-phenylheptyl 4-methylbenzenesulfonate

Systemtic Name: 7-phenylheptyl 4-methylbenzenesulfonate Openeye Name: 7-phenylheptyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 7-phenylheptyl ester IUPAC Name: 7-phenylheptyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 7-phenylheptyl ester Formula: C20H26O3S MolecularWeight: 346.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C20H26O3S/c1-18-13-15-20(16-14-18)24(21,22)23-17-9-4-2-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-16H,2-4,6,9-10,17H2,1H3