adamantane; 1-benzo[a]anthracen-1-ylsulfanylbenzo[a]anthracene

Systemtic Name: adamantane; 1-benzo[a]anthracen-1-ylsulfanylbenzo[a]anthracene Openeye Name: adamantane; 1-benzo[a]anthracen-1-ylsulfanylbenzo[a]anthracene CAS Name: adamantane; 1-(1-benzo[a]anthracenylthio)benzo[a]anthracene IUPAC Name: adamantane; 1-benzo[a]anthracen-1-ylsulfanylbenzo[a]anthracene Traditional Name: adamantane; 1-(benz[a]anthracen-1-ylthio)benz[a]anthracene Formula: C46H38S MolecularWeight: 622.85892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3.C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C(=CC=C4)SC5=CC=CC6=C5C7=CC8=CC=CC=C8C=C7C=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3.C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C(=CC=C4)SC5=CC=CC6=C5C7=CC8=CC=CC=C8C=C7C=C6

InChI

InChI=1S/C36H22S.C10H16/c1-3-9-27-21-31-29(19-25(27)7-1)17-15-23-11-5-13-33(35(23)31)37-34-14-6-12-24-16-18-30-20-26-8-2-4-10-28(26)22-32(30)36(24)34;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-22H;7-10H,1-6H2