2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; nonylbenzene; 2-sulfanylethanoic acid

Systemtic Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; nonylbenzene; 2-sulfanylethanoic acid Openeye Name: 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; nonylbenzene; 2-sulfanylacetic acid CAS Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-mercaptoacetic acid; nonylbenzene IUPAC Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; nonylbenzene; 2-sulfanylacetic acid Traditional Name: 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 2-mercaptoacetic acid; nonylbenzene Formula: C35H49ClO5S MolecularWeight: 617.27856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl.C(C(=O)O)S

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl.C(C(=O)O)S

InChI

InChI=1S/C15H16O2.C15H24.C3H5ClO.C2H4O2S/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;4-1-3-2-5-3;3-2(4)1-5/h3-10,16-17H,1-2H3;8,10-11,13-14H,2-7,9,12H2,1H3;3H,1-2H2;5H,1H2,(H,3,4)