7-[2-methyl-8-(2-methylbutanoyloxy)-6-methylsulfonyl-3,4-bis(oxidanyl)naphthalen-1-yl]heptanoic acid

Systemtic Name: 7-[2-methyl-8-(2-methylbutanoyloxy)-6-methylsulfonyl-3,4-bis(oxidanyl)naphthalen-1-yl]heptanoic acid Openeye Name: 7-[3,4-dihydroxy-2-methyl-8-(2-methylbutanoyloxy)-6-methylsulfonyl-1-naphthyl]heptanoic acid CAS Name: 7-[3,4-dihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-6-methylsulfonyl-1-naphthalenyl]heptanoic acid IUPAC Name: 7-[3,4-dihydroxy-2-methyl-8-(2-methylbutanoyloxy)-6-methylsulfonylnaphthalen-1-yl]heptanoic acid Traditional Name: 7-[3,4-dihydroxy-6-mesyl-2-methyl-8-(2-methylbutanoyloxy)-1-naphthyl]enanthic acid Formula: C24H32O8S MolecularWeight: 480.57108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=C2C(=CC(=C1)S(=O)(=O)C)C(=C(C(=C2CCCCCCC(=O)O)C)O)O

Isomeric SMILES

CCC(C)C(=O)OC1=C2C(=CC(=C1)S(=O)(=O)C)C(=C(C(=C2CCCCCCC(=O)O)C)O)O

InChI

InChI=1S/C24H32O8S/c1-5-14(2)24(29)32-19-13-16(33(4,30)31)12-18-21(19)17(15(3)22(27)23(18)28)10-8-6-7-9-11-20(25)26/h12-14,27-28H,5-11H2,1-4H3,(H,25,26)