5-isothiocyanato-2-[3-(methylamino)-6-methylimino-xanthen-9-yl]benzoic acid

Systemtic Name: 5-isothiocyanato-2-[3-(methylamino)-6-methylimino-xanthen-9-yl]benzoic acid Openeye Name: 5-isothiocyanato-2-[3-(methylamino)-6-methylimino-xanthen-9-yl]benzoic acid CAS Name: 5-isothiocyanato-2-[3-(methylamino)-6-methylimino-9-xanthenyl]benzoic acid IUPAC Name: 5-isothiocyanato-2-[3-(methylamino)-6-methyliminoxanthen-9-yl]benzoic acid Traditional Name: 5-isothiocyanato-2-[3-(methylamino)-6-methylimino-xanthen-9-yl]benzoic acid Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)C(=C3C=CC(=NC)C=C3O2)C4=C(C=C(C=C4)N=C=S)C(=O)O

Isomeric SMILES

CNC1=CC2=C(C=C1)C(=C3C=CC(=NC)C=C3O2)C4=C(C=C(C=C4)N=C=S)C(=O)O

InChI

InChI=1S/C23H17N3O3S/c1-24-13-3-7-17-20(10-13)29-21-11-14(25-2)4-8-18(21)22(17)16-6-5-15(26-12-30)9-19(16)23(27)28/h3-11,24H,1-2H3,(H,27,28)