5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid; 1H-benzimidazole; furo[2,3-h]chromen-2-one; 2-[12-(trioxidanylperoxy)dodecyl]-1H-benzimidazole

Systemtic Name: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid; 1H-benzimidazole; furo[2,3-h]chromen-2-one; 2-[12-(trioxidanylperoxy)dodecyl]-1H-benzimidazole Openeye Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid; benzimidazole; furo[2,3-h]chromen-2-one; 2-[12-(trioxidanylperoxy)dodecyl]-1H-benzimidazole CAS Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid; 1H-benzimidazole; 2-furo[2,3-h][1]benzopyranone; 2-[12-(trioxidanyldioxy)dodecyl]-1H-benzimidazole IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid; 1H-benzimidazole; furo[2,3-h]chromen-2-one; 2-[12-(trioxidanylperoxy)dodecyl]-1H-benzimidazole Traditional Name: 5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]valeric acid; benzimidazole; furo[2,3-h]chromen-2-one; 2-[12-(trioxidanylperoxy)dodecyl]-1H-benzimidazole Formula: C47H58N6O11S MolecularWeight: 915.06202

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2.C1=CC=C2C(=C1)NC=N2.C1=CC=C2C(=C1)NC(=N2)CCCCCCCCCCCCOOOOO.C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3

Isomeric SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2.C1=CC=C2C(=C1)NC=N2.C1=CC=C2C(=C1)NC(=N2)CCCCCCCCCCCCOOOOO.C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3

InChI

InChI=1S/C19H30N2O5.C11H6O3.C10H16N2O3S.C7H6N2/c22-24-26-25-23-16-12-8-6-4-2-1-3-5-7-9-15-19-20-17-13-10-11-14-18(17)21-19;12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10;13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9;1-2-4-7-6(3-1)8-5-9-7/h10-11,13-14,22H,1-9,12,15-16H2,(H,20,21);1-6H;6-7,9H,1-5H2,(H,13,14)(H2,11,12,15);1-5H,(H,8,9)/t;;6-,7-,9-;/m..0./s1