1,5-bis[[4-(2-methylbutyl)phenyl]sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,5-bis[[4-(2-methylbutyl)phenyl]sulfanyl]anthracene-9,10-dione Openeye Name: 1,5-bis[[4-(2-methylbutyl)phenyl]sulfanyl]anthracene-9,10-dione CAS Name: 1,5-bis[[4-(2-methylbutyl)phenyl]thio]anthracene-9,10-dione IUPAC Name: 1,5-bis[[4-(2-methylbutyl)phenyl]sulfanyl]anthracene-9,10-dione Traditional Name: 1,5-bis[[4-(2-methylbutyl)phenyl]thio]-9,10-anthraquinone Formula: C36H36O2S2 MolecularWeight: 564.79984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=C(C=C5)CC(C)CC

Isomeric SMILES

CCC(C)CC1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=C(C=C5)CC(C)CC

InChI

InChI=1S/C36H36O2S2/c1-5-23(3)21-25-13-17-27(18-14-25)39-31-11-7-9-29-33(31)35(37)30-10-8-12-32(34(30)36(29)38)40-28-19-15-26(16-20-28)22-24(4)6-2/h7-20,23-24H,5-6,21-22H2,1-4H3