3,3-bis(phenylsulfanyl)propyl 4-propylbenzoate

Systemtic Name: 3,3-bis(phenylsulfanyl)propyl 4-propylbenzoate Openeye Name: 3,3-bis(phenylsulfanyl)propyl 4-propylbenzoate CAS Name: 4-propylbenzoic acid 3,3-bis(phenylthio)propyl ester IUPAC Name: 3,3-bis(phenylsulfanyl)propyl 4-propylbenzoate Traditional Name: 4-propylbenzoic acid 3,3-bis(phenylthio)propyl ester Formula: C25H26O2S2 MolecularWeight: 422.60274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OCCC(SC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OCCC(SC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C25H26O2S2/c1-2-9-20-14-16-21(17-15-20)25(26)27-19-18-24(28-22-10-5-3-6-11-22)29-23-12-7-4-8-13-23/h3-8,10-17,24H,2,9,18-19H2,1H3