3-(2-ethylhexoxymethyl)heptane; 2-oxidanyl-1,2-diphenyl-ethanone

Systemtic Name: 3-(2-ethylhexoxymethyl)heptane; 2-oxidanyl-1,2-diphenyl-ethanone Openeye Name: 3-(2-ethylhexoxymethyl)heptane; 2-hydroxy-1,2-diphenyl-ethanone CAS Name: 3-(2-ethylhexoxymethyl)heptane; 2-hydroxy-1,2-diphenylethanone IUPAC Name: 3-(2-ethylhexoxymethyl)heptane; 2-hydroxy-1,2-diphenylethanone Traditional Name: benzoin; 3-(2-ethylhexoxymethyl)heptane Formula: C30H46O3 MolecularWeight: 454.68444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCC(CC)CCCC.C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCC(CC)COCC(CC)CCCC.C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C16H34O.C14H12O2/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h15-16H,5-14H2,1-4H3;1-10,13,15H