anthracene-9,10-dione; 1,5-bis(phenylsulfanyl)anthracene-9,10-dione

Systemtic Name: anthracene-9,10-dione; 1,5-bis(phenylsulfanyl)anthracene-9,10-dione Openeye Name: anthracene-9,10-dione; 1,5-bis(phenylsulfanyl)anthracene-9,10-dione CAS Name: anthracene-9,10-dione; 1,5-bis(phenylthio)anthracene-9,10-dione IUPAC Name: anthracene-9,10-dione; 1,5-bis(phenylsulfanyl)anthracene-9,10-dione Traditional Name: 9,10-anthraquinone; 1,5-bis(phenylthio)-9,10-anthraquinone Formula: C40H24O4S2 MolecularWeight: 632.74616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=CC=C5.C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=CC=C5.C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C26H16O2S2.C14H8O2/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-16H;1-8H