(2S)-6-chloranyl-3-[(4-chloranyl-1,3-benzothiazol-2-yl)iminomethyl]-2-hexoxy-2H-chromen-4-olate

Systemtic Name: (2S)-6-chloranyl-3-[(4-chloranyl-1,3-benzothiazol-2-yl)iminomethyl]-2-hexoxy-2H-chromen-4-olate Openeye Name: (2S)-6-chloro-3-[(4-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-hexoxy-2H-chromen-4-olate CAS Name: (2S)-6-chloro-3-[(4-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-hexoxy-2H-1-benzopyran-4-olate IUPAC Name: (2S)-6-chloro-3-[(4-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-hexoxy-2H-chromen-4-olate Traditional Name: (2S)-6-chloro-3-[(4-chloro-1,3-benzothiazol-2-yl)iminomethyl]-2-hexoxy-2H-chromen-4-olate Formula: C23H21Cl2N2O3S- MolecularWeight: 476.39544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1C(=C(C2=C(O1)C=CC(=C2)Cl)[O-])C=NC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CCCCCCO[C@@H]1C(=C(C2=C(O1)C=CC(=C2)Cl)[O-])C=NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C23H22Cl2N2O3S/c1-2-3-4-5-11-29-22-16(21(28)15-12-14(24)9-10-18(15)30-22)13-26-23-27-20-17(25)7-6-8-19(20)31-23/h6-10,12-13,22,28H,2-5,11H2,1H3/p-1/t22-/m0/s1