phenylsulfanyl 4-(4-heptoxycyclohexyl)benzoate pentafluoride

Systemtic Name: phenylsulfanyl 4-(4-heptoxycyclohexyl)benzoate pentafluoride Openeye Name: phenylsulfanyl 4-(4-heptoxycyclohexyl)benzoate pentafluoride CAS Name: 4-(4-heptoxycyclohexyl)benzoic acid (phenylthio) ester pentafluoride IUPAC Name: phenylsulfanyl 4-(4-heptoxycyclohexyl)benzoate pentafluoride Traditional Name: 4-(4-heptoxycyclohexyl)benzoic acid (phenylthio) ester pentafluoride Formula: C26H34F5O3S-5 MolecularWeight: 521.603376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1CCC(CC1)C2=CC=C(C=C2)C(=O)OSC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCCCCOC1CCC(CC1)C2=CC=C(C=C2)C(=O)OSC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C26H34O3S.5FH/c1-2-3-4-5-9-20-28-24-18-16-22(17-19-24)21-12-14-23(15-13-21)26(27)29-30-25-10-7-6-8-11-25;;;;;/h6-8,10-15,22,24H,2-5,9,16-20H2,1H3;5*1H/p-5