2-[(2R,12S)-2-acetyloxy-12-oxidanyl-tridecyl]-4,6-bis(oxidanyl)benzoic acid

Systemtic Name: 2-[(2R,12S)-2-acetyloxy-12-oxidanyl-tridecyl]-4,6-bis(oxidanyl)benzoic acid Openeye Name: 2-[(2R,12S)-2-acetoxy-12-hydroxy-tridecyl]-4,6-dihydroxy-benzoic acid CAS Name: 2-[(2R,12S)-2-acetyloxy-12-hydroxytridecyl]-4,6-dihydroxybenzoic acid IUPAC Name: 2-[(2R,12S)-2-acetyloxy-12-hydroxytridecyl]-4,6-dihydroxybenzoic acid Traditional Name: 2-[(2R,12S)-2-acetoxy-12-hydroxy-tridecyl]-4,6-dihydroxy-benzoic acid Formula: C22H34O7 MolecularWeight: 410.50116

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCC(CC1=CC(=CC(=C1C(=O)O)O)O)OC(=O)C)O

Isomeric SMILES

C[C@@H](CCCCCCCCC[C@H](CC1=CC(=CC(=C1C(=O)O)O)O)OC(=O)C)O

InChI

InChI=1S/C22H34O7/c1-15(23)10-8-6-4-3-5-7-9-11-19(29-16(2)24)13-17-12-18(25)14-20(26)21(17)22(27)28/h12,14-15,19,23,25-26H,3-11,13H2,1-2H3,(H,27,28)/t15-,19+/m0/s1