[9-[2-[2-adamantylidene(methoxy)methyl]phenyl]-6-oxidanylidene-xanthen-3-yl] benzoate

Systemtic Name: [9-[2-[2-adamantylidene(methoxy)methyl]phenyl]-6-oxidanylidene-xanthen-3-yl] benzoate Openeye Name: [9-[2-[2-adamantylidene(methoxy)methyl]phenyl]-6-oxo-xanthen-3-yl] benzoate CAS Name: benzoic acid [9-[2-[2-adamantylidene(methoxy)methyl]phenyl]-6-oxo-3-xanthenyl] ester IUPAC Name: [9-[2-[2-adamantylidene(methoxy)methyl]phenyl]-6-oxoxanthen-3-yl] benzoate Traditional Name: benzoic acid [9-[2-[2-adamantylidene(methoxy)methyl]phenyl]-6-keto-xanthen-3-yl] ester Formula: C38H32O5 MolecularWeight: 568.65768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1C2CC3CC(C2)CC1C3)C4=CC=CC=C4C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)OC(=O)C8=CC=CC=C8

Isomeric SMILES

COC(=C1C2CC3CC(C2)CC1C3)C4=CC=CC=C4C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)OC(=O)C8=CC=CC=C8

InChI

InChI=1S/C38H32O5/c1-41-37(35-25-16-22-15-23(18-25)19-26(35)17-22)30-10-6-5-9-29(30)36-31-13-11-27(39)20-33(31)43-34-21-28(12-14-32(34)36)42-38(40)24-7-3-2-4-8-24/h2-14,20-23,25-26H,15-19H2,1H3