Viewing Compound With Structures

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Compound Report Overview

Compound Name: ETHYL DIBUNATE
Compound Identifier: 701520
Mol Structure 2D: 701520
Molecular Weight: 349
Formula: C20 H28 O3 S
Development Status: Preclinical
SMILES: CCOS(=O)(=O)c1cc(cc2cc(ccc12)C(C)(C)C)C(C)(C)C
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222352D 0 0.00000 0.00000 0^^ 24 25 0 0 0 999 V2000^ 0.9875 0.8000 0.0000 S 0 0 3 0 0 0 0 0 0^ 0.9875 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0042 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0042 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9625 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9625 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9875 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9750 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9583 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1125 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.1333 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.9750 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9417 -2.5625 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.9333 -2.5625 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.9583 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9875 1.9083 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.5917 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1542 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9292 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2208 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.9333 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4958 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0125 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0125 3.5958 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 4 1 0 0 0^ 4 2 1 0 0 0^ 5 2 2 0 0 0^ 6 5 1 0 0 0^ 7 6 2 0 0 0^ 8 3 2 0 0 0^ 9 15 2 0 0 0^ 10 1 2 0 0 0^ 11 1 2 0 0 0^ 12 4 2 0 0 0^ 13 6 1 0 0 0^ 14 9 1 0 0 0^ 15 12 1 0 0 0^ 16 1 1 0 0 0^ 17 13 1 0 0 0^ 18 13 1 0 0 0^ 19 13 1 0 0 0^ 20 14 1 0 0 0^ 21 14 1 0 0 0^ 22 14 1 0 0 0^ 23 16 1 0 0 0^ 24 23 1 0 0 0^ 7 3 1 0 0 0^ 9 8 1 0 0 0^M END^^
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