[2-methoxy-4-[(E)-4-(4-methylphenyl)sulfonyl-3-oxidanyl-dec-5-enyl]phenyl] benzoate

Systemtic Name: [2-methoxy-4-[(E)-4-(4-methylphenyl)sulfonyl-3-oxidanyl-dec-5-enyl]phenyl] benzoate Openeye Name: [4-[(E)-3-hydroxy-4-(p-tolylsulfonyl)dec-5-enyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-3-hydroxy-4-(4-methylphenyl)sulfonyldec-5-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-hydroxy-4-(4-methylphenyl)sulfonyldec-5-enyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-3-hydroxy-4-tosyl-dec-5-enyl]-2-methoxy-phenyl] ester Formula: C31H36O6S MolecularWeight: 536.67894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(C(CCC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC)O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC/C=C/C(C(CCC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC)O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C31H36O6S/c1-4-5-6-10-13-30(38(34,35)26-18-14-23(2)15-19-26)27(32)20-16-24-17-21-28(29(22-24)36-3)37-31(33)25-11-8-7-9-12-25/h7-15,17-19,21-22,27,30,32H,4-6,16,20H2,1-3H3/b13-10+