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sodium 6-[(2-oxidanyl-3-phenoxy-propyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate

sodium 6-[(2-oxidanyl-3-phenoxy-propyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate

Systemtic Name:sodium 6-[(2-oxidanyl-3-phenoxy-propyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate
Openeye Name:sodium 6-[(2-hydroxy-3-phenoxy-propyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate
CAS Name:sodium 6-[(2-hydroxy-3-phenoxypropyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate
IUPAC Name:sodium 6-[(2-hydroxy-3-phenoxypropyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate
Traditional Name:sodium 6-[(2-hydroxy-3-phenoxy-propyl)amino]-6,7,8,9-tetrahydro-5H-benzocycloheptene-3-carboxylate
Formula: C21H24NNaO4
MolecularWeight: 377.40933
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2=C(C1)C=CC(=C2)C(=O)[O-])NCC(COC3=CC=CC=C3)O.[Na+]


Isomeric SMILES

C1CC(CC2=C(C1)C=CC(=C2)C(=O)[O-])NCC(COC3=CC=CC=C3)O.[Na+]


InChI

InChI=1S/C21H25NO4.Na/c23-19(14-26-20-7-2-1-3-8-20)13-22-18-6-4-5-15-9-10-16(21(24)25)11-17(15)12-18;/h1-3,7-11,18-19,22-23H,4-6,12-14H2,(H,24,25);/q;+1/p-1


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