(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 5-[(3S)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C22H22O4S2 MolecularWeight: 414.53768

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

C1CSS[C@H]1CCCCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C22H22O4S2/c23-20(8-4-2-6-17-11-12-27-28-17)25-14-16-13-21(24)26-19-10-9-15-5-1-3-7-18(15)22(16)19/h1,3,5,7,9-10,13,17H,2,4,6,8,11-12,14H2/t17-/m0/s1