[6-methyl-3-oxidanyl-2-(9-oxidanyldecyl)-4-(phenylsulfonyl)phenyl] ethanoate

Systemtic Name: [6-methyl-3-oxidanyl-2-(9-oxidanyldecyl)-4-(phenylsulfonyl)phenyl] ethanoate Openeye Name: [4-(benzenesulfonyl)-3-hydroxy-2-(9-hydroxydecyl)-6-methyl-phenyl] acetate CAS Name: acetic acid [4-(benzenesulfonyl)-3-hydroxy-2-(9-hydroxydecyl)-6-methylphenyl] ester IUPAC Name: [4-(benzenesulfonyl)-3-hydroxy-2-(9-hydroxydecyl)-6-methylphenyl] acetate Traditional Name: acetic acid [4-besyl-3-hydroxy-2-(9-hydroxydecyl)-6-methyl-phenyl] ester Formula: C25H34O6S MolecularWeight: 462.59886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC(=O)C)CCCCCCCCC(C)O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C(=C1OC(=O)C)CCCCCCCCC(C)O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H34O6S/c1-18-17-23(32(29,30)21-14-10-8-11-15-21)24(28)22(25(18)31-20(3)27)16-12-7-5-4-6-9-13-19(2)26/h8,10-11,14-15,17,19,26,28H,4-7,9,12-13,16H2,1-3H3