propan-2-yl hexadecanoate; 2-propan-2-yloctadecanoate; 2-propan-2-yltetradecanoate

Systemtic Name: propan-2-yl hexadecanoate; 2-propan-2-yloctadecanoate; 2-propan-2-yltetradecanoate Openeye Name: isopropyl hexadecanoate; 2-isopropyloctadecanoate; 2-isopropyltetradecanoate CAS Name: hexadecanoic acid propan-2-yl ester; 2-propan-2-yloctadecanoate; 2-propan-2-yltetradecanoate IUPAC Name: propan-2-yl hexadecanoate; 2-propan-2-yloctadecanoate; 2-propan-2-yltetradecanoate Traditional Name: 2-isopropylmyristate; 2-isopropylstearate; palmitic acid isopropyl ester Formula: C57H112O6-2 MolecularWeight: 893.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(C)C)C(=O)[O-].CCCCCCCCCCCCCCCC(=O)OC(C)C.CCCCCCCCCCCCC(C(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(C)C)C(=O)[O-].CCCCCCCCCCCCCCCC(=O)OC(C)C.CCCCCCCCCCCCC(C(C)C)C(=O)[O-]

InChI

InChI=1S/C21H42O2.C19H38O2.C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(19(2)3)21(22)23;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3;1-4-5-6-7-8-9-10-11-12-13-14-16(15(2)3)17(18)19/h19-20H,4-18H2,1-3H3,(H,22,23);18H,4-17H2,1-3H3;15-16H,4-14H2,1-3H3,(H,18,19)/p-2