9,10-bis(oxidanylidene)-3,4-bis[4-(prop-2-enoylamino)butoxy]anthracene-2-sulfonic acid

Systemtic Name: 9,10-bis(oxidanylidene)-3,4-bis[4-(prop-2-enoylamino)butoxy]anthracene-2-sulfonic acid Openeye Name: 9,10-dioxo-3,4-bis[4-(prop-2-enoylamino)butoxy]anthracene-2-sulfonic acid CAS Name: 9,10-dioxo-3,4-bis[4-(1-oxoprop-2-enylamino)butoxy]-2-anthracenesulfonic acid IUPAC Name: 9,10-dioxo-3,4-bis[4-(prop-2-enoylamino)butoxy]anthracene-2-sulfonic acid Traditional Name: 3,4-bis(4-acrylamidobutoxy)-9,10-diketo-anthracene-2-sulfonic acid Formula: C28H30N2O9S MolecularWeight: 570.6108

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=C(C=C2C(=C1OCCCCNC(=O)C=C)C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)O

Isomeric SMILES

C=CC(=O)NCCCCOC1=C(C=C2C(=C1OCCCCNC(=O)C=C)C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)O

InChI

InChI=1S/C28H30N2O9S/c1-3-22(31)29-13-7-9-15-38-27-21(40(35,36)37)17-20-24(26(34)19-12-6-5-11-18(19)25(20)33)28(27)39-16-10-8-14-30-23(32)4-2/h3-6,11-12,17H,1-2,7-10,13-16H2,(H,29,31)(H,30,32)(H,35,36,37)