1,3-bis[5-(2-ethylhexoxymethyl)heptoxy]propan-2-yl hydrogen sulfate

Systemtic Name: 1,3-bis[5-(2-ethylhexoxymethyl)heptoxy]propan-2-yl hydrogen sulfate Openeye Name: [2-[5-(2-ethylhexoxymethyl)heptoxy]-1-[5-(2-ethylhexoxymethyl)heptoxymethyl]ethyl] hydrogen sulfate CAS Name: sulfuric acid 1,3-bis[5-(2-ethylhexoxymethyl)heptoxy]propan-2-yl ester IUPAC Name: 1,3-bis[5-(2-ethylhexoxymethyl)heptoxy]propan-2-yl hydrogen sulfate Traditional Name: sulfuric acid [2-[5-(2-ethylhexoxymethyl)heptoxy]-1-[5-(2-ethylhexoxymethyl)heptoxymethyl]ethyl] ester Formula: C35H72O8S MolecularWeight: 653.00638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCC(CC)CCCCOCC(COCCCCC(CC)COCC(CC)CCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCC(CC)COCC(CC)CCCCOCC(COCCCCC(CC)COCC(CC)CCCC)OS(=O)(=O)O

InChI

InChI=1S/C35H72O8S/c1-7-13-19-31(9-3)25-41-27-33(11-5)21-15-17-23-39-29-35(43-44(36,37)38)30-40-24-18-16-22-34(12-6)28-42-26-32(10-4)20-14-8-2/h31-35H,7-30H2,1-6H3,(H,36,37,38)