5-azanyl-2-[(E)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[(E)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzenesulfonic acid Openeye Name: 5-amino-2-[(E)-2-tetralin-6-ylvinyl]benzenesulfonic acid CAS Name: 5-amino-2-[(E)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[(E)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzenesulfonic acid Traditional Name: 5-amino-2-[(E)-2-tetralin-6-ylvinyl]besylic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C=CC3=C(C=C(C=C3)N)S(=O)(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)/C=C/C3=C(C=C(C=C3)N)S(=O)(=O)O

InChI

InChI=1S/C18H19NO3S/c19-17-10-9-15(18(12-17)23(20,21)22)8-6-13-5-7-14-3-1-2-4-16(14)11-13/h5-12H,1-4,19H2,(H,20,21,22)/b8-6+