2-[3-(dimethylamino)-6-oxidanylidene-xanthen-9-yl]-5-isothiocyanato-benzoic acid

Systemtic Name: 2-[3-(dimethylamino)-6-oxidanylidene-xanthen-9-yl]-5-isothiocyanato-benzoic acid Openeye Name: 2-[3-(dimethylamino)-6-oxo-xanthen-9-yl]-5-isothiocyanato-benzoic acid CAS Name: 2-[3-(dimethylamino)-6-oxo-9-xanthenyl]-5-isothiocyanatobenzoic acid IUPAC Name: 2-[3-(dimethylamino)-6-oxoxanthen-9-yl]-5-isothiocyanatobenzoic acid Traditional Name: 2-[3-(dimethylamino)-6-keto-xanthen-9-yl]-5-isothiocyanato-benzoic acid Formula: C23H16N2O4S MolecularWeight: 416.44914

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=O)C=C3O2)C4=C(C=C(C=C4)N=C=S)C(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=O)C=C3O2)C4=C(C=C(C=C4)N=C=S)C(=O)O

InChI

InChI=1S/C23H16N2O4S/c1-25(2)14-4-7-17-20(10-14)29-21-11-15(26)5-8-18(21)22(17)16-6-3-13(24-12-30)9-19(16)23(27)28/h3-11H,1-2H3,(H,27,28)