6-methyl-6-[7-(2-methyl-7-oxidanyl-7-oxidanylidene-heptan-2-yl)-9,10-bis(oxidanylidene)anthracen-2-yl]heptanoic acid

Systemtic Name: 6-methyl-6-[7-(2-methyl-7-oxidanyl-7-oxidanylidene-heptan-2-yl)-9,10-bis(oxidanylidene)anthracen-2-yl]heptanoic acid Openeye Name: 6-[7-(6-hydroxy-1,1-dimethyl-6-oxo-hexyl)-9,10-dioxo-2-anthryl]-6-methyl-heptanoic acid CAS Name: 6-[7-(7-hydroxy-2-methyl-7-oxoheptan-2-yl)-9,10-dioxo-2-anthracenyl]-6-methylheptanoic acid IUPAC Name: 6-[7-(7-hydroxy-2-methyl-7-oxoheptan-2-yl)-9,10-dioxoanthracen-2-yl]-6-methylheptanoic acid Traditional Name: 6-[7-(6-hydroxy-6-keto-1,1-dimethyl-hexyl)-9,10-diketo-2-anthryl]-6-methyl-enanthic acid Formula: C30H36O6 MolecularWeight: 492.60324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC(=O)O)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)CCCCC(=O)O

Isomeric SMILES

CC(C)(CCCCC(=O)O)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)CCCCC(=O)O

InChI

InChI=1S/C30H36O6/c1-29(2,15-7-5-9-25(31)32)19-11-13-21-23(17-19)28(36)24-18-20(12-14-22(24)27(21)35)30(3,4)16-8-6-10-26(33)34/h11-14,17-18H,5-10,15-16H2,1-4H3,(H,31,32)(H,33,34)