7-[3,3-bis(bromanyl)propanoylamino]-3-oxidanyl-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid

Systemtic Name: 7-[3,3-bis(bromanyl)propanoylamino]-3-oxidanyl-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Openeye Name: 7-(3,3-dibromopropanoylamino)-3-hydroxy-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid CAS Name: 7-[(3,3-dibromo-1-oxopropyl)amino]-3-hydroxy-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid IUPAC Name: 7-(3,3-dibromopropanoylamino)-3-hydroxy-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Traditional Name: 7-(3,3-dibromopropanoylamino)-3-hydroxy-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Formula: C13H15Br2NO5S MolecularWeight: 457.1349

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC(=CC2C(C=C1O)S(=O)(=O)O)NC(=O)CC(Br)Br

Isomeric SMILES

C1C2C=CC(=CC2C(C=C1O)S(=O)(=O)O)NC(=O)CC(Br)Br

InChI

InChI=1S/C13H15Br2NO5S/c14-12(15)6-13(18)16-8-2-1-7-3-9(17)5-11(10(7)4-8)22(19,20)21/h1-2,4-5,7,10-12,17H,3,6H2,(H,16,18)(H,19,20,21)