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sodium [7-(sulfooxymethyl)benzo[a]anthracen-12-yl]methanolate

sodium [7-(sulfooxymethyl)benzo[a]anthracen-12-yl]methanolate

Systemtic Name:sodium [7-(sulfooxymethyl)benzo[a]anthracen-12-yl]methanolate
Openeye Name:sodium [7-(sulfooxymethyl)benzo[a]anthracen-12-yl]methanolate
CAS Name:sodium [7-(sulfooxymethyl)-12-benzo[a]anthracenyl]methanolate
IUPAC Name:sodium [7-(sulfooxymethyl)benzo[a]anthracen-12-yl]methanolate
Traditional Name:sodium [7-(sulfoxymethyl)benz[a]anthracen-12-yl]methanolate
Formula: C20H15NaO5S
MolecularWeight: 390.38487
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C(=C32)C[O-])COS(=O)(=O)O.[Na+]


Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C(=C32)C[O-])COS(=O)(=O)O.[Na+]


InChI

InChI=1S/C20H15O5S.Na/c21-11-18-15-7-3-4-8-16(15)19(12-25-26(22,23)24)17-10-9-13-5-1-2-6-14(13)20(17)18;/h1-10H,11-12H2,(H,22,23,24);/q-1;+1


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