2-[3-(ethylamino)-6-ethylazaniumylidene-2,7-dimethyl-8a,9-dihydroxanthen-9-yl]benzoate

Systemtic Name: 2-[3-(ethylamino)-6-ethylazaniumylidene-2,7-dimethyl-8a,9-dihydroxanthen-9-yl]benzoate Openeye Name: 2-[3-(ethylamino)-6-ethyliminio-2,7-dimethyl-8a,9-dihydroxanthen-9-yl]benzoate CAS Name: 2-[3-(ethylamino)-6-ethyliminio-2,7-dimethyl-8a,9-dihydroxanthen-9-yl]benzoate IUPAC Name: 2-[3-(ethylamino)-6-ethylazaniumylidene-2,7-dimethyl-8a,9-dihydroxanthen-9-yl]benzoate Traditional Name: 2-[3-(ethylamino)-6-ethyliminio-2,7-dimethyl-8a,9-dihydroxanthen-9-yl]benzoate Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(C3C=C(C(=[NH+]CC)C=C3OC2=C1)C)C4=CC=CC=C4C(=O)[O-])C

Isomeric SMILES

CCNC1=C(C=C2C(C3C=C(C(=[NH+]CC)C=C3OC2=C1)C)C4=CC=CC=C4C(=O)[O-])C

InChI

InChI=1S/C26H28N2O3/c1-5-27-21-13-23-19(11-15(21)3)25(17-9-7-8-10-18(17)26(29)30)20-12-16(4)22(28-6-2)14-24(20)31-23/h7-14,19,25,28H,5-6H2,1-4H3,(H,29,30)