12-[2-oxidanyl-3-(phenylsulfonyl)phenyl]dodecan-2-yl methanoate

Systemtic Name: 12-[2-oxidanyl-3-(phenylsulfonyl)phenyl]dodecan-2-yl methanoate Openeye Name: [11-[3-(benzenesulfonyl)-2-hydroxy-phenyl]-1-methyl-undecyl] formate CAS Name: formic acid 12-[3-(benzenesulfonyl)-2-hydroxyphenyl]dodecan-2-yl ester IUPAC Name: 12-[3-(benzenesulfonyl)-2-hydroxyphenyl]dodecan-2-yl formate Traditional Name: formic acid [11-(3-besyl-2-hydroxy-phenyl)-1-methyl-undecyl] ester Formula: C25H34O5S MolecularWeight: 446.59946

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)C2=CC=CC=C2)O)OC=O

Isomeric SMILES

CC(CCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)C2=CC=CC=C2)O)OC=O

InChI

InChI=1S/C25H34O5S/c1-21(30-20-26)14-9-6-4-2-3-5-7-10-15-22-16-13-19-24(25(22)27)31(28,29)23-17-11-8-12-18-23/h8,11-13,16-21,27H,2-7,9-10,14-15H2,1H3