pentyl 2-(3-azanyl-6-azanylidene-xanthen-9-yl)benzoate hydrochloride

Systemtic Name: pentyl 2-(3-azanyl-6-azanylidene-xanthen-9-yl)benzoate hydrochloride Openeye Name: pentyl 2-(3-amino-6-imino-xanthen-9-yl)benzoate hydrochloride CAS Name: 2-(3-amino-6-imino-9-xanthenyl)benzoic acid pentyl ester hydrochloride IUPAC Name: pentyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate hydrochloride Traditional Name: 2-(3-amino-6-imino-xanthen-9-yl)benzoic acid amyl ester hydrochloride Formula: C25H25ClN2O3 MolecularWeight: 436.9306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N.Cl

Isomeric SMILES

CCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N.Cl

InChI

InChI=1S/C25H24N2O3.ClH/c1-2-3-6-13-29-25(28)19-8-5-4-7-18(19)24-20-11-9-16(26)14-22(20)30-23-15-17(27)10-12-21(23)24;/h4-5,7-12,14-15,26H,2-3,6,13,27H2,1H3;1H