S-[3,6,7,10,11-pentakis(pentanoylsulfanyl)triphenylen-2-yl] pentanethioate

Systemtic Name: S-[3,6,7,10,11-pentakis(pentanoylsulfanyl)triphenylen-2-yl] pentanethioate Openeye Name: S-[3,6,7,10,11-pentakis(pentanoylsulfanyl)triphenylen-2-yl] pentanethioate CAS Name: pentanethioic acid S-[3,6,7,10,11-pentakis(1-oxopentylthio)-2-triphenylenyl] ester IUPAC Name: S-[3,6,7,10,11-pentakis(pentanoylsulfanyl)triphenylen-2-yl] pentanethioate Traditional Name: pentanethioic acid S-[3,6,7,10,11-pentakis(valerylthio)triphenylen-2-yl] ester Formula: C48H60O6S6 MolecularWeight: 925.3764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)SC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SC(=O)CCCC)SC(=O)CCCC)SC(=O)CCCC)SC(=O)CCCC)SC(=O)CCCC

Isomeric SMILES

CCCCC(=O)SC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SC(=O)CCCC)SC(=O)CCCC)SC(=O)CCCC)SC(=O)CCCC)SC(=O)CCCC

InChI

InChI=1S/C48H60O6S6/c1-7-13-19-43(49)55-37-25-31-32(26-38(37)56-44(50)20-14-8-2)34-28-40(58-46(52)22-16-10-4)42(60-48(54)24-18-12-6)30-36(34)35-29-41(59-47(53)23-17-11-5)39(27-33(31)35)57-45(51)21-15-9-3/h25-30H,7-24H2,1-6H3