1,4-bis(oxidanyl)-2-[(2-sulfanylphenyl)methyl]anthracene-9,10-dione

Systemtic Name: 1,4-bis(oxidanyl)-2-[(2-sulfanylphenyl)methyl]anthracene-9,10-dione Openeye Name: 1,4-dihydroxy-2-[(2-sulfanylphenyl)methyl]anthracene-9,10-dione CAS Name: 1,4-dihydroxy-2-[(2-mercaptophenyl)methyl]anthracene-9,10-dione IUPAC Name: 1,4-dihydroxy-2-[(2-sulfanylphenyl)methyl]anthracene-9,10-dione Traditional Name: 1,4-dihydroxy-2-(2-mercaptobenzyl)-9,10-anthraquinone Formula: C21H14O4S MolecularWeight: 362.39846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)S

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)S

InChI

InChI=1S/C21H14O4S/c22-15-10-12(9-11-5-1-4-8-16(11)26)19(23)18-17(15)20(24)13-6-2-3-7-14(13)21(18)25/h1-8,10,22-23,26H,9H2