[8-(4-carboxy-1-methyl-benzotriazol-5-yl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [8-(4-carboxy-1-methyl-benzotriazol-5-yl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [8-(4-carboxy-1-methyl-benzotriazol-5-yl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [8-(4-carboxy-1-methyl-5-benzotriazolyl)-5-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [8-(4-carboxy-1-methylbenzotriazol-5-yl)-5-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [8-(4-carboxy-1-methyl-benzotriazol-5-yl)-5-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C29H32N5O3+ MolecularWeight: 498.59608

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C(=C(C=C1)C3=C(C4=C(C=C3)N(N=N4)C)C(=O)O)C=C5C=CC(=[N+](CC)CC)C=C5O2

Isomeric SMILES

CCN(CC)C1=C2C(=C(C=C1)C3=C(C4=C(C=C3)N(N=N4)C)C(=O)O)C=C5C=CC(=[N+](CC)CC)C=C5O2

InChI

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