3-[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-methyl-pyran-2,4-dione hydrochloride

Systemtic Name: 3-[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-methyl-pyran-2,4-dione hydrochloride Openeye Name: 3-[(E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoyl]-6-methyl-pyran-2,4-dione hydrochloride CAS Name: 3-[(E)-3-(3-chloro-1-benzothiophen-2-yl)-1-oxoprop-2-enyl]-6-methylpyran-2,4-dione hydrochloride IUPAC Name: 3-[(E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoyl]-6-methylpyran-2,4-dione hydrochloride Traditional Name: 3-[(E)-3-(3-chlorobenzothiophen-2-yl)acryloyl]-6-methyl-pyran-2,4-quinone hydrochloride Formula: C17H12Cl2O4S MolecularWeight: 383.24578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(=O)O1)C(=O)C=CC2=C(C3=CC=CC=C3S2)Cl.Cl

Isomeric SMILES

CC1=CC(=O)C(C(=O)O1)C(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl.Cl

InChI

InChI=1S/C17H11ClO4S.ClH/c1-9-8-12(20)15(17(21)22-9)11(19)6-7-14-16(18)10-4-2-3-5-13(10)23-14;/h2-8,15H,1H3;1H/b7-6+;