6-(3-sulfo-5,6,7,8-tetrahydronaphthalen-2-yl)hexanoic acid

Systemtic Name: 6-(3-sulfo-5,6,7,8-tetrahydronaphthalen-2-yl)hexanoic acid Openeye Name: 6-(7-sulfotetralin-6-yl)hexanoic acid CAS Name: 6-(3-sulfo-5,6,7,8-tetrahydronaphthalen-2-yl)hexanoic acid IUPAC Name: 6-(3-sulfo-5,6,7,8-tetrahydronaphthalen-2-yl)hexanoic acid Traditional Name: 6-(7-sulfotetralin-6-yl)hexanoic acid Formula: C16H22O5S MolecularWeight: 326.40788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=CC(=C(C=C2C1)CCCCCC(=O)O)S(=O)(=O)O

Isomeric SMILES

C1CCC2=CC(=C(C=C2C1)CCCCCC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H22O5S/c17-16(18)9-3-1-2-8-14-10-12-6-4-5-7-13(12)11-15(14)22(19,20)21/h10-11H,1-9H2,(H,17,18)(H,19,20,21)