butane; 2-(4-carboxy-6-chloranyl-2,3-dihydrothiochromen-4-yl)ethanoate

Systemtic Name: butane; 2-(4-carboxy-6-chloranyl-2,3-dihydrothiochromen-4-yl)ethanoate Openeye Name: butane; 2-(4-carboxy-6-chloro-thiochroman-4-yl)acetate CAS Name: butane; 2-(4-carboxy-6-chloro-2,3-dihydro-1-benzothiopyran-4-yl)acetate IUPAC Name: butane; 2-(4-carboxy-6-chloro-2,3-dihydrothiochromen-4-yl)acetate Traditional Name: 2-(4-carboxy-6-chloro-thiochroman-4-yl)acetate; n-butane Formula: C16H20ClO4S- MolecularWeight: 343.8456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1CSC2=C(C1(CC(=O)[O-])C(=O)O)C=C(C=C2)Cl

Isomeric SMILES

CCCC.C1CSC2=C(C1(CC(=O)[O-])C(=O)O)C=C(C=C2)Cl

InChI

InChI=1S/C12H11ClO4S.C4H10/c13-7-1-2-9-8(5-7)12(11(16)17,3-4-18-9)6-10(14)15;1-3-4-2/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17);3-4H2,1-2H3/p-1