butane; 2-(8-chloranyldibenzothiophen-3-yl)ethanoic acid

Systemtic Name: butane; 2-(8-chloranyldibenzothiophen-3-yl)ethanoic acid Openeye Name: butane; 2-(8-chlorodibenzothiophen-3-yl)acetic acid CAS Name: butane; 2-(8-chloro-3-dibenzothiophenyl)acetic acid IUPAC Name: butane; 2-(8-chlorodibenzothiophen-3-yl)acetic acid Traditional Name: 2-(8-chlorodibenzothiophen-3-yl)acetic acid; n-butane Formula: C18H19ClO2S MolecularWeight: 334.86026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC2=C(C=C1CC(=O)O)SC3=C2C=C(C=C3)Cl

Isomeric SMILES

CCCC.C1=CC2=C(C=C1CC(=O)O)SC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C14H9ClO2S.C4H10/c15-9-2-4-12-11(7-9)10-3-1-8(6-14(16)17)5-13(10)18-12;1-3-4-2/h1-5,7H,6H2,(H,16,17);3-4H2,1-2H3