1,25-bis(phenylmethoxy)pentacosan-13-yl 4-methylbenzenesulfonate

Systemtic Name: 1,25-bis(phenylmethoxy)pentacosan-13-yl 4-methylbenzenesulfonate Openeye Name: [13-benzyloxy-1-(12-benzyloxydodecyl)tridecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,25-bis(phenylmethoxy)pentacosan-13-yl ester IUPAC Name: 1,25-bis(phenylmethoxy)pentacosan-13-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [13-benzoxy-1-(12-benzoxydodecyl)tridecyl] ester Formula: C46H70O5S MolecularWeight: 735.11

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCCCCCCCCCOCC2=CC=CC=C2)CCCCCCCCCCCCOCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCCCCCCCCCOCC2=CC=CC=C2)CCCCCCCCCCCCOCC3=CC=CC=C3

InChI

InChI=1S/C46H70O5S/c1-42-34-36-46(37-35-42)52(47,48)51-45(32-24-14-10-6-2-4-8-12-16-26-38-49-40-43-28-20-18-21-29-43)33-25-15-11-7-3-5-9-13-17-27-39-50-41-44-30-22-19-23-31-44/h18-23,28-31,34-37,45H,2-17,24-27,32-33,38-41H2,1H3