4-[7-(methoxymethoxy)-3-methyl-4-(9-methylsulfonyloxynonyl)-2,4-dihydrochromen-3-yl]benzoic acid

Systemtic Name: 4-[7-(methoxymethoxy)-3-methyl-4-(9-methylsulfonyloxynonyl)-2,4-dihydrochromen-3-yl]benzoic acid Openeye Name: 4-[7-(methoxymethoxy)-3-methyl-4-(9-methylsulfonyloxynonyl)chroman-3-yl]benzoic acid CAS Name: 4-[7-(methoxymethoxy)-3-methyl-4-(9-methylsulfonyloxynonyl)-3,4-dihydro-2H-1-benzopyran-3-yl]benzoic acid IUPAC Name: 4-[7-(methoxymethoxy)-3-methyl-4-(9-methylsulfonyloxynonyl)-2,4-dihydrochromen-3-yl]benzoic acid Traditional Name: 4-[7-(methoxymethoxy)-3-methyl-4-(9-methylsulfonyloxynonyl)chroman-3-yl]benzoic acid Formula: C29H40O8S MolecularWeight: 548.6881

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C1CCCCCCCCCOS(=O)(=O)C)C=CC(=C2)OCOC)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1(COC2=C(C1CCCCCCCCCOS(=O)(=O)C)C=CC(=C2)OCOC)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C29H40O8S/c1-29(23-14-12-22(13-15-23)28(30)31)20-35-27-19-24(36-21-34-2)16-17-25(27)26(29)11-9-7-5-4-6-8-10-18-37-38(3,32)33/h12-17,19,26H,4-11,18,20-21H2,1-3H3,(H,30,31)