[9-(2-carboxy-6-isothiocyanato-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-(2-carboxy-6-isothiocyanato-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(2-carboxy-6-isothiocyanato-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(2-carboxy-6-isothiocyanatophenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-(2-carboxy-6-isothiocyanatophenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-(2-carboxy-6-isothiocyanato-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C29H30N3O3S+ MolecularWeight: 500.6318

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=CC=C4N=C=S)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=CC=C4N=C=S)C(=O)O

InChI

InChI=1S/C29H29N3O3S/c1-5-31(6-2)19-12-14-21-25(16-19)35-26-17-20(32(7-3)8-4)13-15-22(26)27(21)28-23(29(33)34)10-9-11-24(28)30-18-36/h9-17H,5-8H2,1-4H3/p+1