octyl 2-[3-azanyl-6-azanylidene-4,5-bis(bromanyl)xanthen-9-yl]benzoate

Systemtic Name: octyl 2-[3-azanyl-6-azanylidene-4,5-bis(bromanyl)xanthen-9-yl]benzoate Openeye Name: octyl 2-(3-amino-4,5-dibromo-6-imino-xanthen-9-yl)benzoate CAS Name: 2-(3-amino-4,5-dibromo-6-imino-9-xanthenyl)benzoic acid octyl ester IUPAC Name: octyl 2-(3-amino-4,5-dibromo-6-iminoxanthen-9-yl)benzoate Traditional Name: 2-(3-amino-4,5-dibromo-6-imino-xanthen-9-yl)benzoic acid octyl ester Formula: C28H28Br2N2O3 MolecularWeight: 600.34152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4Br)N)Br

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4Br)N)Br

InChI

InChI=1S/C28H28Br2N2O3/c1-2-3-4-5-6-9-16-34-28(33)18-11-8-7-10-17(18)23-19-12-14-21(31)24(29)26(19)35-27-20(23)13-15-22(32)25(27)30/h7-8,10-15,31H,2-6,9,16,32H2,1H3