sodium 3-(7-oxidanylidenebenzo[a]phenalen-3-yl)oxypropane-1-sulfonate

Systemtic Name: sodium 3-(7-oxidanylidenebenzo[a]phenalen-3-yl)oxypropane-1-sulfonate Openeye Name: sodium 3-(7-oxobenzo[a]phenalen-3-yl)oxypropane-1-sulfonate CAS Name: sodium 3-[(7-oxo-3-benzo[a]phenalenyl)oxy]-1-propanesulfonate IUPAC Name: sodium 3-(7-oxobenzo[a]phenalen-3-yl)oxypropane-1-sulfonate Traditional Name: sodium 3-(7-ketobenzo[a]phenalen-3-yl)oxypropane-1-sulfonate Formula: C20H15NaO5S MolecularWeight: 390.38487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)OCCCS(=O)(=O)[O-])C=CC=C4C2=O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)OCCCS(=O)(=O)[O-])C=CC=C4C2=O.[Na+]

InChI

InChI=1S/C20H16O5S.Na/c21-20-15-6-2-1-5-13(15)14-9-10-18(25-11-4-12-26(22,23)24)16-7-3-8-17(20)19(14)16;/h1-3,5-10H,4,11-12H2,(H,22,23,24);/q;+1/p-1