octadecyl 2-[4,5-bis(bromanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoate

Systemtic Name: octadecyl 2-[4,5-bis(bromanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoate Openeye Name: octadecyl 2-(4,5-dibromo-3-hydroxy-6-oxo-xanthen-9-yl)benzoate CAS Name: 2-(4,5-dibromo-3-hydroxy-6-oxo-9-xanthenyl)benzoic acid octadecyl ester IUPAC Name: octadecyl 2-(4,5-dibromo-3-hydroxy-6-oxoxanthen-9-yl)benzoate Traditional Name: 2-(4,5-dibromo-3-hydroxy-6-keto-xanthen-9-yl)benzoic acid stearyl ester Formula: C38H46Br2O5 MolecularWeight: 742.57684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H46Br2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-44-38(43)28-21-18-17-20-27(28)33-29-22-24-31(41)34(39)36(29)45-37-30(33)23-25-32(42)35(37)40/h17-18,20-25,41H,2-16,19,26H2,1H3