octadecyl 2-[3,6-bis(oxidanyl)xanthen-10-ium-9-yl]benzoate

Systemtic Name: octadecyl 2-[3,6-bis(oxidanyl)xanthen-10-ium-9-yl]benzoate Openeye Name: octadecyl 2-(3,6-dihydroxyxanthen-10-ium-9-yl)benzoate CAS Name: 2-(3,6-dihydroxy-9-xanthen-10-iumyl)benzoic acid octadecyl ester IUPAC Name: octadecyl 2-(3,6-dihydroxyxanthen-10-ium-9-yl)benzoate Traditional Name: 2-(3,6-dihydroxyxanthen-10-ium-9-yl)benzoic acid stearyl ester Formula: C38H49O5+ MolecularWeight: 585.79266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=CC3=[O+]C4=C2C=CC(=C4)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=CC3=[O+]C4=C2C=CC(=C4)O)O

InChI

InChI=1S/C38H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-42-38(41)32-21-18-17-20-31(32)37-33-24-22-29(39)27-35(33)43-36-28-30(40)23-25-34(36)37/h17-18,20-25,27-28H,2-16,19,26H2,1H3,(H-,39,40)/p+1