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

Systemtic Name: octyl 2-[3-azanyl-6-azanylidene-4,5-bis(bromanyl)xanthen-9-yl]-6-oxidanyl-benzoate Openeye Name: octyl 2-(3-amino-4,5-dibromo-6-imino-xanthen-9-yl)-6-hydroxy-benzoate CAS Name: 2-(3-amino-4,5-dibromo-6-imino-9-xanthenyl)-6-hydroxybenzoic acid octyl ester IUPAC Name: octyl 2-(3-amino-4,5-dibromo-6-iminoxanthen-9-yl)-6-hydroxybenzoate Traditional Name: 2-(3-amino-4,5-dibromo-6-imino-xanthen-9-yl)-6-hydroxy-benzoic acid octyl ester Formula: C28H28Br2N2O4 MolecularWeight: 616.34092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(C=CC=C1O)C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4Br)N)Br

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(C=CC=C1O)C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4Br)N)Br

InChI

InChI=1S/C28H28Br2N2O4/c1-2-3-4-5-6-7-15-35-28(34)23-16(9-8-10-21(23)33)22-17-11-13-19(31)24(29)26(17)36-27-18(22)12-14-20(32)25(27)30/h8-14,31,33H,2-7,15,32H2,1H3