butan-2-yl 6-isocyanatohexanoate; propan-2-yl 6-isocyanatohexanoate; prop-2-enyl 6-isocyanatohexanoate

Systemtic Name: butan-2-yl 6-isocyanatohexanoate; propan-2-yl 6-isocyanatohexanoate; prop-2-enyl 6-isocyanatohexanoate Openeye Name: allyl 6-isocyanatohexanoate; isopropyl 6-isocyanatohexanoate; sec-butyl 6-isocyanatohexanoate CAS Name: 6-isocyanatohexanoic acid butan-2-yl ester; 6-isocyanatohexanoic acid propan-2-yl ester; 6-isocyanatohexanoic acid prop-2-enyl ester IUPAC Name: butan-2-yl 6-isocyanatohexanoate; propan-2-yl 6-isocyanatohexanoate; prop-2-enyl 6-isocyanatohexanoate Traditional Name: 6-isocyanatohexanoic acid allyl ester; 6-isocyanatohexanoic acid isopropyl ester; 6-isocyanatohexanoic acid sec-butyl ester Formula: C31H51N3O9 MolecularWeight: 609.75134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CCCCCN=C=O.CC(C)OC(=O)CCCCCN=C=O.C=CCOC(=O)CCCCCN=C=O

Isomeric SMILES

CCC(C)OC(=O)CCCCCN=C=O.CC(C)OC(=O)CCCCCN=C=O.C=CCOC(=O)CCCCCN=C=O

InChI

InChI=1S/C11H19NO3.C10H17NO3.C10H15NO3/c1-3-10(2)15-11(14)7-5-4-6-8-12-9-13;1-9(2)14-10(13)6-4-3-5-7-11-8-12;1-2-8-14-10(13)6-4-3-5-7-11-9-12/h10H,3-8H2,1-2H3;9H,3-7H2,1-2H3;2H,1,3-8H2