[9-(4-carboxy-1-methyl-benzotriazol-5-yl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-(4-carboxy-1-methyl-benzotriazol-5-yl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(4-carboxy-1-methyl-benzotriazol-5-yl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(4-carboxy-1-methyl-5-benzotriazolyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-(4-carboxy-1-methylbenzotriazol-5-yl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-(4-carboxy-1-methyl-benzotriazol-5-yl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C29H32N5O3+ MolecularWeight: 498.59608

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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(C5=C(C=C4)N(N=N5)C)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C5=C(C=C4)N(N=N5)C)C(=O)O

InChI

InChI=1S/C29H31N5O3/c1-6-33(7-2)18-10-12-20-24(16-18)37-25-17-19(34(8-3)9-4)11-13-21(25)26(20)22-14-15-23-28(27(22)29(35)36)30-31-32(23)5/h10-17H,6-9H2,1-5H3/p+1