O-[3-(4-phenylbutanethioyloxy)-2,2-bis(4-phenylbutanethioyloxymethyl)propyl] 4-phenylbutanethioate

Systemtic Name: O-[3-(4-phenylbutanethioyloxy)-2,2-bis(4-phenylbutanethioyloxymethyl)propyl] 4-phenylbutanethioate Openeye Name: O-[3-(4-phenylbutanethioyloxy)-2,2-bis(4-phenylbutanethioyloxymethyl)propyl] 4-phenylbutanethioate CAS Name: 4-phenylbutanethioic acid O-[3-(4-phenyl-1-sulfanylidenebutoxy)-2,2-bis[(4-phenyl-1-sulfanylidenebutoxy)methyl]propyl] ester IUPAC Name: O-[3-(4-phenylbutanethioyloxy)-2,2-bis(4-phenylbutanethioyloxymethyl)propyl] 4-phenylbutanethioate Traditional Name: 4-phenylbutanethioic acid O-[3-(4-phenylbutanethioyloxy)-2,2-bis(4-phenylbutanethioyloxymethyl)propyl] ester Formula: C45H52O4S4 MolecularWeight: 785.15198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=S)OCC(COC(=S)CCCC2=CC=CC=C2)(COC(=S)CCCC3=CC=CC=C3)COC(=S)CCCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=S)OCC(COC(=S)CCCC2=CC=CC=C2)(COC(=S)CCCC3=CC=CC=C3)COC(=S)CCCC4=CC=CC=C4

InChI

InChI=1S/C45H52O4S4/c50-41(29-13-25-37-17-5-1-6-18-37)46-33-45(34-47-42(51)30-14-26-38-19-7-2-8-20-38,35-48-43(52)31-15-27-39-21-9-3-10-22-39)36-49-44(53)32-16-28-40-23-11-4-12-24-40/h1-12,17-24H,13-16,25-36H2