[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H11BrO5S MolecularWeight: 407.23524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)OCC(=O)C3=CC=C(S3)Br)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)OCC(=O)C3=CC=C(S3)Br)O

InChI

InChI=1S/C17H11BrO5S/c18-15-6-5-14(24-15)13(20)8-23-17(22)11-7-12(19)9-3-1-2-4-10(9)16(11)21/h1-7,19,21H,8H2