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

Systemtic Name: octyl 2-(3-azanyl-6-azanylidene-xanthen-9-yl)benzoate hydrochloride Openeye Name: octyl 2-(3-amino-6-imino-xanthen-9-yl)benzoate hydrochloride CAS Name: 2-(3-amino-6-imino-9-xanthenyl)benzoic acid octyl ester hydrochloride IUPAC Name: octyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate hydrochloride Traditional Name: 2-(3-amino-6-imino-xanthen-9-yl)benzoic acid octyl ester hydrochloride Formula: C28H31ClN2O3 MolecularWeight: 479.01034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O3.ClH/c1-2-3-4-5-6-9-16-32-28(31)22-11-8-7-10-21(22)27-23-14-12-19(29)17-25(23)33-26-18-20(30)13-15-24(26)27;/h7-8,10-15,17-18,29H,2-6,9,16,30H2,1H3;1H