4-(4,6-dimethyldibenzothiophen-2-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4,6-dimethyldibenzothiophen-2-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4,6-dimethyldibenzothiophen-2-yl)-4-oxo-butanoic acid CAS Name: 4-(4,6-dimethyl-2-dibenzothiophenyl)-4-oxobutanoic acid IUPAC Name: 4-(4,6-dimethyldibenzothiophen-2-yl)-4-oxobutanoic acid Traditional Name: 4-(4,6-dimethyldibenzothiophen-2-yl)-4-keto-butyric acid Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SC3=C(C=C(C=C23)C(=O)CCC(=O)O)C

Isomeric SMILES

CC1=CC=CC2=C1SC3=C(C=C(C=C23)C(=O)CCC(=O)O)C

InChI

InChI=1S/C18H16O3S/c1-10-4-3-5-13-14-9-12(15(19)6-7-16(20)21)8-11(2)18(14)22-17(10)13/h3-5,8-9H,6-7H2,1-2H3,(H,20,21)