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

Systemtic Name: 1-[[6-(4-methoxyphenoxy)-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione Openeye Name: 1-[[6-(4-methoxyphenoxy)-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione CAS Name: 1-[[6-(4-methoxyphenoxy)-1,3-benzothiazol-2-yl]thio]anthracene-9,10-dione IUPAC Name: 1-[[6-(4-methoxyphenoxy)-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione Traditional Name: 1-[[6-(4-methoxyphenoxy)-1,3-benzothiazol-2-yl]thio]-9,10-anthraquinone Formula: C28H17NO4S2 MolecularWeight: 495.56888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=CC3=C(C=C2)N=C(S3)SC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

COC1=CC=C(C=C1)OC2=CC3=C(C=C2)N=C(S3)SC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C28H17NO4S2/c1-32-16-9-11-17(12-10-16)33-18-13-14-22-24(15-18)35-28(29-22)34-23-8-4-7-21-25(23)27(31)20-6-3-2-5-19(20)26(21)30/h2-15H,1H3