[2-[bis(3-phenylpropoxy)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[bis(3-phenylpropoxy)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[bis(3-phenylpropoxy)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[bis(3-phenylpropoxy)methyl]phenyl] ester IUPAC Name: [2-[bis(3-phenylpropoxy)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[bis(3-phenylpropoxy)methyl]phenyl] ester Formula: C32H34O5S MolecularWeight: 530.67436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(OCCCC3=CC=CC=C3)OCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(OCCCC3=CC=CC=C3)OCCCC4=CC=CC=C4

InChI

InChI=1S/C32H34O5S/c1-26-20-22-29(23-21-26)38(33,34)37-31-19-9-8-18-30(31)32(35-24-10-16-27-12-4-2-5-13-27)36-25-11-17-28-14-6-3-7-15-28/h2-9,12-15,18-23,32H,10-11,16-17,24-25H2,1H3