7-[(1E)-1-(4-methyl-5-octadecylsulfanyl-1,3-dithiol-2-ylidene)ethyl]-10-(10-oxidanylidene-4aH-anthracen-9-yl)-8aH-anthracen-9-one

Systemtic Name: 7-[(1E)-1-(4-methyl-5-octadecylsulfanyl-1,3-dithiol-2-ylidene)ethyl]-10-(10-oxidanylidene-4aH-anthracen-9-yl)-8aH-anthracen-9-one Openeye Name: 7-[(1E)-1-(4-methyl-5-octadecylsulfanyl-1,3-dithiol-2-ylidene)ethyl]-10-(10-oxo-4aH-anthracen-9-yl)-8aH-anthracen-9-one CAS Name: 7-[(1E)-1-[4-methyl-5-(octadecylthio)-1,3-dithiol-2-ylidene]ethyl]-10-(10-oxo-4aH-anthracen-9-yl)-8aH-anthracen-9-one IUPAC Name: 7-[(1E)-1-(4-methyl-5-octadecylsulfanyl-1,3-dithiol-2-ylidene)ethyl]-10-(10-oxo-4aH-anthracen-9-yl)-8aH-anthracen-9-one Traditional Name: 10-(10-keto-4aH-anthracen-9-yl)-7-[(1E)-1-[4-methyl-5-(stearylthio)-1,3-dithiol-2-ylidene]ethyl]-8aH-anthracen-9-one Formula: C52H60O2S3 MolecularWeight: 813.2266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=C(SC(=C(C)C2=CC3C(=C(C4=CC=CC=C4C3=O)C5=C6C=CC=CC6C(=O)C7=CC=CC=C75)C=C2)S1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=C(S/C(=C(/C)\C2=CC3C(=C(C4=CC=CC=C4C3=O)C5=C6C=CC=CC6C(=O)C7=CC=CC=C75)C=C2)/S1)C

InChI

InChI=1S/C52H60O2S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-34-55-52-37(3)56-51(57-52)36(2)38-32-33-42-46(35-38)50(54)45-31-24-21-28-41(45)48(42)47-39-26-19-22-29-43(39)49(53)44-30-23-20-27-40(44)47/h19-24,26-33,35,43,46H,4-18,25,34H2,1-3H3/b51-36+