4-[(E)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethenyl]cyclohexa-2,4-diene-1-sulfonate

Systemtic Name: 4-[(E)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethenyl]cyclohexa-2,4-diene-1-sulfonate Openeye Name: 4-[(E)-2-(tetralin-1-ylamino)vinyl]cyclohexa-2,4-diene-1-sulfonate CAS Name: 4-[(E)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethenyl]-1-cyclohexa-2,4-dienesulfonate IUPAC Name: 4-[(E)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethenyl]cyclohexa-2,4-diene-1-sulfonate Traditional Name: 4-[(E)-2-(tetralin-1-ylamino)vinyl]cyclohexa-2,4-diene-1-sulfonate Formula: C18H20NO3S- MolecularWeight: 330.4213

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC=CC3=CCC(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)N/C=C/C3=CCC(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C18H21NO3S/c20-23(21,22)16-10-8-14(9-11-16)12-13-19-18-7-3-5-15-4-1-2-6-17(15)18/h1-2,4,6,8-10,12-13,16,18-19H,3,5,7,11H2,(H,20,21,22)/p-1/b13-12+