1-[[6-[(4-chlorophenyl)methoxy]-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione

Systemtic Name: 1-[[6-[(4-chlorophenyl)methoxy]-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione Openeye Name: 1-[[6-[(4-chlorophenyl)methoxy]-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione CAS Name: 1-[[6-[(4-chlorophenyl)methoxy]-1,3-benzothiazol-2-yl]thio]anthracene-9,10-dione IUPAC Name: 1-[[6-[(4-chlorophenyl)methoxy]-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione Traditional Name: 1-[[6-(4-chlorobenzyl)oxy-1,3-benzothiazol-2-yl]thio]-9,10-anthraquinone Formula: C28H16ClNO3S2 MolecularWeight: 514.01454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)SC4=NC5=C(S4)C=C(C=C5)OCC6=CC=C(C=C6)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)SC4=NC5=C(S4)C=C(C=C5)OCC6=CC=C(C=C6)Cl

InChI

InChI=1S/C28H16ClNO3S2/c29-17-10-8-16(9-11-17)15-33-18-12-13-22-24(14-18)35-28(30-22)34-23-7-3-6-21-25(23)27(32)20-5-2-1-4-19(20)26(21)31/h1-14H,15H2