[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl] benzoate chloride

Systemtic Name: [3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl] benzoate chloride Openeye Name: [3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl] benzoate chloride CAS Name: benzoic acid [3-(ethylamino)-6-ethylimino-2,7-dimethyl-9-xanthenyl] ester chloride IUPAC Name: [3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl] benzoate chloride Traditional Name: benzoic acid [3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl] ester chloride Formula: C26H26ClN2O3- MolecularWeight: 449.94924

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2OC(=O)C4=CC=CC=C4)C)C.[Cl-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2OC(=O)C4=CC=CC=C4)C)C.[Cl-]

InChI

InChI=1S/C26H26N2O3.ClH/c1-5-27-21-14-23-19(12-16(21)3)25(31-26(29)18-10-8-7-9-11-18)20-13-17(4)22(28-6-2)15-24(20)30-23;/h7-15,27H,5-6H2,1-4H3;1H/p-1